Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3895701

CCS(=O)(=O)N[C@@H](COc1cccc(C(=N)N)c1)Cc1ccc(OC2CCNCC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.43
▸ F2 P00734 7/20 0.42
▸ ITGB3 P05106 4/20 0.41
▸ ITGA2B P08514 4/20 0.41
▸ TMPRSS6 Q8IU80 4/20 0.39
▸ F7 P08709 2/20 0.38
▸ F3 P13726 2/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38

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 SCHEMBL3912132 1.00 F10 (0.43) F10F2ITGB3ITGA2BTMPRSS6
SCHEMBL14132291 0.95 F10 (0.44) F10F2ITGB3ITGA2B
SCHEMBL14131855 0.95 F10 (0.44) F10F2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900803 0.94 ITGB3 (0.51) F10F2ITGB3ITGA2BF7
Trifluoroacetic Acid SCHEMBL3900418 0.90 F2 (0.46) F10F2ITGB3ITGA2BTMPRSS6
Trifluoroacetic Acid SCHEMBL3900322 0.90 F2 (0.46) F10F2ITGB3ITGA2BTMPRSS6
Trifluoroacetic Acid SCHEMBL5105075 0.89 F10 (0.57) F10F2
Trifluoroacetic Acid SCHEMBL3895751 0.88 F2 (0.43) F10F2ITGB3ITGA2BTMPRSS6
Trifluoroacetic Acid SCHEMBL3899142 0.88 F2 (0.42) F10F2ITGB3ITGA2BTMPRSS6
SCHEMBL14132288 0.88 ITGB3 (0.49) F10F2ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 — — EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP disclosed
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