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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1131328

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNC3CCCC3)c2)C(=O)N1Cc1ccncc1.CC1(C)COCCN1CC(=O)Nc1cc(N2C(=O)N(Cc3ccncc3)C(C)(C)C2=O)ccc1OC(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 6/20 0.38
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ WNT3A P56704 11/20 0.34
▸ KDM4E B2RXH2 1/20 0.32

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 SCHEMBL1130594 0.93 IGF1R (0.42) IGF1RPPARGPPARDPPARAWNT3A
Trifluoroacetic Acid SCHEMBL1130314 0.91 IGF1R (0.44) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1129855 0.90 IGF1R (0.45) IGF1RPPARGPPARDPPARA
SCHEMBL1130357 0.90 IGF1R (0.44) IGF1RPPARGPPARDPPARAWNT3A
Trifluoroacetic Acid SCHEMBL1131330 0.88 IGF1R (0.38) IGF1RPPARGPPARDPPARAWNT3A
Trifluoroacetic Acid SCHEMBL1130401 0.88 IGF1R (0.45) IGF1RPPARGPPARDPPARA
SCHEMBL1130758 0.88 IGF1R (0.46) IGF1RPPARGPPARDPPARA
SCHEMBL1130693 0.88 IGF1R (0.47) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1129790 0.87 IGF1R (0.41) IGF1RPPARGPPARDPPARAWNT3A
SCHEMBL1130252 0.86 IGF1R (0.47) IGF1RPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773808-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-02-16 — — EP claimed