Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3900803

CCCCS(=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 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.51
▸ ITGA2B P08514 9/20 0.51
▸ ITGAV P06756 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ F10 P00742 11/20 0.41
▸ F2 P00734 3/20 0.40
▸ F7 P08709 1/20 0.38
▸ F3 P13726 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
SCHEMBL14132288 0.95 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
Trifluoroacetic Acid SCHEMBL3912132 0.94 F10 (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
Trifluoroacetic Acid SCHEMBL3895701 0.94 F10 (0.43) ITGB3ITGA2BITGAVCHRM2SLC6A4
Trifluoroacetic Acid SCHEMBL5105528 0.90 F10 (0.54) ITGB3ITGA2BF10F2
SCHEMBL14132291 0.88 F10 (0.44) ITGB3ITGA2BF10F2
SCHEMBL14131855 0.88 F10 (0.44) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3900418 0.87 F2 (0.46) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3900322 0.87 F2 (0.46) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3898369 0.86 F10 (0.44) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3897893 0.86 ITGB3 (0.49) ITGB3ITGA2BF10F2F7

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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