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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6680558

COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1.O=C(O)C(F)(F)F

nearest known ligand 0.89

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.89
▸ PRSS1 P07477 18/20 0.89
▸ F2 P00734 6/20 0.72
▸ TMPRSS2 O15393 1/20 0.71
▸ PLG P00747 1/20 0.64

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 SCHEMBL7900410 0.90 F10 (0.84) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL7890833 0.90 F10 (0.72) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6638259 0.84 F10 (0.76) F10PRSS1F2TMPRSS2PLG
Trifluoroacetic Acid SCHEMBL6638262 0.84 F10 (0.76) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL29426323 0.84 F10 (1.00) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL12447697 0.84 F10 (1.00) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL12589586 0.84 F10 (1.00) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL52983 0.84 F10 (1.00) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL7890763 0.83 F10 (0.98) F10PRSS1F2TMPRSS2PLG
Otamixaban SCHEMBL16588897 0.83 F10 (0.98) F10PRSS1F2TMPRSS2PLG

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-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 — — EP disclosed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 — — US disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 — — EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 — — WO disclosed