Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1310033

O=C(O)C(F)(F)F.OC1(c2ccccc2)CNC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRL1 P41146 6/20 0.38
OPRK1 P41145 5/20 0.38
OPRD1 P41143 4/20 0.38
CES1 P23141 1/20 0.38
HSD11B1 P28845 1/20 0.37
TACR1 P25103 1/20 0.36
DRD2 P14416 1/20 0.36
GRIN2B Q13224 1/20 0.36
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL21523859 0.87 P2RY14 (0.45) OPRM1OPRL1OPRK1OPRD1CES1
Trifluoroacetic Acid SCHEMBL31083998 0.85 P2RY14 (0.46) OPRM1OPRL1OPRK1OPRD1CES1
Trifluoroacetic Acid SCHEMBL17080482 0.85 DRD2 (0.37) OPRM1DRD2
Trifluoroacetic Acid SCHEMBL28508438 0.85 DRD2 (0.53) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL1668502 0.84 OPRM1 (0.48) OPRM1OPRL1OPRK1OPRD1DRD2
Hydrochloric Acid SCHEMBL5901298 0.82 OPRM1 (0.46) OPRM1OPRL1OPRK1OPRD1DRD2
Trifluoroacetic Acid SCHEMBL31083966 0.81 OPRM1 (0.44) OPRM1OPRL1OPRK1OPRD1HSD11B1
Trifluoroacetic Acid SCHEMBL15212228 0.77 P2RY14 (0.38) OPRM1OPRL1OPRK1OPRD1CES1
Trifluoroacetic Acid SCHEMBL31084060 0.76 OPRM1 (0.39) OPRM1OPRL1OPRK1OPRD1DRD2
Tert-Butyl Formate SCHEMBL27846026 0.73 TDP1 (0.41) OPRM1OPRL1OPRK1OPRD1HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
CN-104387372-B Oxo azetidine derivatives, preparation method and its purposes in human medical and cosmetics 盖尔德马研究及发展公司 2018-06-26 CN disclosed
EP-3321257-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2018-05-16 EP disclosed
US-9868746-B2 Substituted 5-aminothieno[2,3-C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2018-01-16 US disclosed
EP-2817295-B1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2017-11-01 EP disclosed
US-9630949-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-04-25 US disclosed
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2017-01-26 US disclosed
US-9493481-B2 Substituted 5-aminothieno[2,3—C]pyridazine-6-carboxamide analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2016-11-15 US disclosed
CN-104387372-A OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV 2015-03-04 CN disclosed
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-12 US disclosed
EP-2817295-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2014-12-31 EP disclosed
US-8871187-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereon in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-28 US disclosed
WO-2013126856-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2013-08-29 WO disclosed
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
CN-102203081-A Oxoazetidine derivatives, method for the production thereof and use thereof in human medicine and cosmetics GALDERMA RES & DEV 2011-09-28 CN disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 OPRM1 686/4885OPRL1 1364/4885OPRK1 1054/4885
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS CYP51A1, TYR, CYP2C19 OPRM1 495/4885OPRL1 1166/4885OPRK1 729/4885
US-20170022216-A1 SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM5, CHRM4, CHRM3 OPRM1 81/4885OPRL1 92/4885OPRK1 166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.