Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19989664

C1=C(c2ccc(-c3ccccc3)cc2)CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.67
HTR2C P28335 9/20 0.65
QDPR P09417 2/20 0.54
P2RY14 Q15391 1/20 0.50
NAMPT P43490 1/20 0.49
HTR6 P50406 2/20 0.46
HTR7 P34969 1/20 0.46
HTR2A P28223 1/20 0.46
FTO Q9C0B1 1/20 0.45

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 SCHEMBL30182435 0.87 QDPR (0.53) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL16799644 0.87 HTR2C (0.71) SIGMAR1HTR2CQDPRP2RY14NAMPT
SCHEMBL3899585 0.85 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRNAMPTHTR6
Trifluoroacetic Acid SCHEMBL1198632 0.85 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL29749858 0.84 QDPR (0.50) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL16228956 0.84 SIGMAR1 (0.51) SIGMAR1HTR2CQDPRP2RY14NAMPT
SCHEMBL415545 0.82 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
Trifluoroacetic Acid SCHEMBL30745981 0.81 HTR2C (0.54) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL3322729 0.80 HTR2C (0.50) SIGMAR1HTR2CQDPRP2RY14HTR6
Bromide SCHEMBL11385943 0.80 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR6HTR7

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
EP-3519387-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Dong-A ST Co., Ltd. (KR) 2019-08-07 EP disclosed
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 US disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS SIGMAR1 1438/4885HTR2C 1786/4885QDPR 42/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS SIGMAR1 1438/4885HTR2C 1786/4885QDPR 42/4885

“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.