Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326588

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2Cc1cccc(Oc2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.39
CHRM5 P08912 2/20 0.37
FFAR1 O14842 5/20 0.36
FFAR4 Q5NUL3 3/20 0.36
GNA15 P30679 1/20 0.35
PTGER3 P43115 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDFT1 P37268 1/20 0.35
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
ITGAV P06756 1/20 0.33
HDAC1 Q13547 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 SCHEMBL7334531 1.00 HRH2 (0.39) HRH2CHRM5FFAR1FFAR4GNA15
Trifluoroacetic Acid SCHEMBL7331205 0.95 CHRM5 (0.42) HRH2CHRM5FFAR1KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7329072 0.95 CHRM5 (0.42) HRH2CHRM5FFAR1KDM4EALOX15
SCHEMBL7326599 0.91 CHRM5 (0.36) HRH2CHRM5FFAR1FDFT1MGLL
SCHEMBL7334537 0.91 CHRM5 (0.36) HRH2CHRM5FFAR1FDFT1MGLL
Trifluoroacetic Acid SCHEMBL7326285 0.90 FDFT1 (0.36) HRH2CHRM5FFAR1FFAR4GNA15
Trifluoroacetic Acid SCHEMBL7324285 0.90 FDFT1 (0.36) HRH2CHRM5FFAR1FFAR4GNA15
Trifluoroacetic Acid SCHEMBL7328662 0.89 CTRB1 (0.40) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7330331 0.89 CTRB1 (0.40) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL9317669 0.89 FFAR1 (0.36) HRH2CHRM5FFAR1FFAR4KDM4E

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