Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3404097

CN(C)C1(c2ccccc2)CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.54
OPRL1 P41146 17/20 0.54
OPRK1 P41145 2/20 0.53

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
SCHEMBL2834926 0.85 OPRM1 (0.72) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL2331328 0.84 OPRL1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL4631671 0.80 OPRM1 (0.73) OPRM1OPRL1OPRK1
Trifluoroacetic Acid SCHEMBL3409375 0.79 OPRM1 (0.52) OPRM1OPRL1OPRK1
SCHEMBL7309717 0.78 OPRM1 (0.53) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478467 0.77 OPRM1 (0.69) OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL7478459 0.77 OPRM1 (0.69) OPRM1OPRL1OPRK1
SCHEMBL7514792 0.77 OPRM1 (0.56) OPRM1OPRL1OPRK1
Trifluoroacetic Acid SCHEMBL16413809 0.76 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL27458716 0.76 OPRM1 (0.75) OPRM1OPRL1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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 (2 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885OPRK1 6/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885OPRK1 6/4885

“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.