Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7397995

CCOC(=O)CCNC(=O)CCn1ccn(-c2ccc(C(=N)N)cc2)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
F2 P00734 5/20 0.39
TMPRSS6 Q8IU80 5/20 0.39
ITGB2 P05107 1/20 0.37
ITGAM P11215 1/20 0.37
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7396412 0.94 ITGB3 (0.51) ITGB3ITGA2BF2MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7404770 0.92 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6ITGB2
Trifluoroacetic Acid SCHEMBL7405136 0.88 ITGB3 (0.49) ITGB3ITGA2BF2TMPRSS6ITGB2
SCHEMBL7405139 0.87 ITGB3 (0.39) ITGB3ITGA2BF2TMPRSS6ITGB2
SCHEMBL7400534 0.82 ITGB3 (0.55) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7392782 0.81 ITGB3 (0.43) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL7283455 0.80 ITGB3 (0.43) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7400268 0.80 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6ITGB2
Trifluoroacetic Acid SCHEMBL7394355 0.79 F2 (0.41) ITGB3ITGA2BF2TMPRSS6ITGB2
Trifluoroacetic Acid SCHEMBL7398703 0.79 ITGB3 (0.39) ITGB3ITGA2BF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP claimed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US claimed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed