Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7323735

NCCCCCc1ccc2c(c1)C(=O)N(CCC(=O)O)CC(=O)N2C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ITGA2 P17301 2/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SSTR1 P30872 9/20 0.33
SSTR4 P31391 9/20 0.33
SSTR5 P35346 9/20 0.33
SSTR2 P30874 8/20 0.33
SSTR3 P32745 7/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
S1PR1 P21453 1/20 0.32
RXRA P19793 1/20 0.32
CPB2 Q96IY4 1/20 0.31

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 SCHEMBL7327519 1.00 KDM4E (0.37) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7330241 0.99 KDM4E (0.38) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL8959490 0.95 KDM4E (0.41) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7357560 0.95 KDM4E (0.41) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL9317672 0.89 KDM4E (0.34) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7327527 0.89 ITGB3 (0.30) ITGB3ITGA2B
SCHEMBL7323744 0.89 ITGB3 (0.30) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7353937 0.89 ITGB3 (0.38) KDM4EALOX15TSHRSIRT1ITGB3
Trifluoroacetic Acid SCHEMBL7326131 0.89 ITGB3 (0.38) KDM4EALOX15TSHRSIRT1ITGB3
SCHEMBL7330251 0.88 ITGB3 (0.31) 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