Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7333191

Cc1cc(OCCCc2ccc3c(c2)C(=O)N(C(C)CC(=O)O)CC(=O)N3C)nc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
RXRA P19793 3/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
CYP2C9 P11712 1/20 0.30
RECQL P46063 1/20 0.30
BACE1 P56817 1/20 0.30

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 SCHEMBL7334476 0.92 ITGB3 (0.37) ITGB3ITGA2BRXRACYP1A2CYP2C19
SCHEMBL7333196 0.91 ITGB3 (0.38) ITGB3ITGA2BCYP1A2CYP2C19GABRA1
Trifluoroacetic Acid SCHEMBL7328309 0.90 MEN1 (0.37) ITGB3ITGA2BRXRABACE1
Trifluoroacetic Acid SCHEMBL7332347 0.90 ITGB3 (0.36) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7329664 0.90 ITGB3 (0.35) ITGB3ITGA2B
SCHEMBL7328314 0.84 ITGB3 (0.33) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7334590 0.83 MEN1 (0.36) ITGB3ITGA2BRXRA
SCHEMBL7334478 0.83 RXRA (0.32) ITGB3ITGA2BRXRACYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL7331748 0.83 BACE1 (0.32) BACE1
SCHEMBL7332354 0.82 ITGB3 (0.31) ITGB3ITGA2B

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-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