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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1130702

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c(NC(=O)CNCC#N)c2)C(=O)N1Cc1ccncc1.CN(C)CC(=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 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 10/20 0.42
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HDAC3 O15379 1/20 0.35
▸ AR P10275 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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 SCHEMBL1129853 0.95 IGF1R (0.46) IGF1RPPARGPPARDPPARAHDAC3
Trifluoroacetic Acid SCHEMBL1129928 0.93 IGF1R (0.47) IGF1RPPARGPPARDPPARA
SCHEMBL1130802 0.92 IGF1R (0.48) IGF1RPPARGPPARDPPARA
SCHEMBL1130775 0.90 IGF1R (0.50) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1130454 0.88 IGF1R (0.48) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1130655 0.87 IGF1R (0.47) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1129753 0.87 IGF1R (0.47) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1129759 0.86 IGF1R (0.46) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1130312 0.86 IGF1R (0.46) IGF1RPPARGPPARDPPARA
Trifluoroacetic Acid SCHEMBL1129990 0.86 IGF1R (0.46) 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