Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7323741

CC(CC(=O)O)N1CC(=O)N(C(C)C)c2ccc(CCCCCNC(=N)N)cc2C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 9/20 0.44
NPY4R P50391 3/20 0.35
RXRA P19793 3/20 0.34
ITGA2 P17301 1/20 0.32
S1PR4 O95977 1/20 0.30
S1PR1 P21453 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 SCHEMBL7333452 0.92 ITGB3 (0.54) ITGB3ITGA2BNPY4RRXRAITGA2
Trifluoroacetic Acid SCHEMBL7331607 0.90 MEN1 (0.38) ITGB3ITGA2BNPY4RRXRA
SCHEMBL7323748 0.89 ITGB3 (0.37) ITGB3ITGA2BNPY4RRXRA
Trifluoroacetic Acid SCHEMBL7333906 0.89 ITGB3 (0.42) ITGB3ITGA2BNPY4RITGA2
Trifluoroacetic Acid SCHEMBL7330476 0.88 ITGB3 (0.42) ITGB3ITGA2BNPY4R
Trifluoroacetic Acid SCHEMBL7326440 0.88 ITGB3 (0.42) ITGB3ITGA2BRXRAITGA2S1PR4
SCHEMBL7331609 0.84 ITGB3 (0.33) ITGB3ITGA2BRXRA
Trifluoroacetic Acid SCHEMBL7331099 0.81 NPY4R (0.33) ITGB3ITGA2BNPY4R
Trifluoroacetic Acid SCHEMBL7334280 0.81 ITGB3 (0.42) ITGB3ITGA2BNPY4R
SCHEMBL7333455 0.81 ITGB3 (0.45) ITGB3ITGA2BNPY4R

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