Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7329072

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1ccc(Oc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.42
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HRH2 P25021 2/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
ITGA2 P17301 1/20 0.34
SRD5A2 P31213 1/20 0.33

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 SCHEMBL7331205 1.00 CHRM5 (0.42) CHRM5CASP3CASP7PTGDR2FFAR1
Trifluoroacetic Acid SCHEMBL7334531 0.95 HRH2 (0.39) CHRM5FFAR1KDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7326588 0.95 HRH2 (0.39) CHRM5FFAR1KDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL8836813 0.92 PTGDR2 (0.40) CHRM5CASP3CASP7PTGDR2KDM4E
Trifluoroacetic Acid SCHEMBL7332794 0.92 PTGDR2 (0.40) CHRM5CASP3CASP7PTGDR2KDM4E
Trifluoroacetic Acid SCHEMBL9317669 0.91 FFAR1 (0.36) CHRM5PTGDR2FFAR1KDM4EALOX15
SCHEMBL7329083 0.90 CHRM5 (0.41) CHRM5CASP3CASP7PTGDR2
SCHEMBL7331210 0.90 CHRM5 (0.41) CHRM5CASP3CASP7PTGDR2
Trifluoroacetic Acid SCHEMBL7330331 0.90 CTRB1 (0.40) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7328662 0.90 CTRB1 (0.40) KDM4EALOX15TSHRSIRT1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed