Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20210984

CNC1(c2ccccn2)CCC2(CC1)CC(=O)N(CC(C)(C)C(N)=O)C2.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 15/20 0.43
▸ VNN1 O95497 1/20 0.35
▸ PRCP P42785 1/20 0.34
▸ CHIT1 Q13231 1/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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 SCHEMBL17444198 1.00 OPRM1 (0.43) OPRM1VNN1PRCPCHIT1OPRL1
SCHEMBL17444355 0.95 OPRM1 (0.45) OPRM1VNN1OPRL1
SCHEMBL17444354 0.95 OPRM1 (0.45) OPRM1VNN1OPRL1
SCHEMBL17443809 0.87 OPRM1 (0.40) OPRM1VNN1OPRL1HSD11B1
SCHEMBL17443808 0.87 OPRM1 (0.40) OPRM1VNN1OPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL19137846 0.87 OPRM1 (0.39) OPRM1VNN1PRCPCHIT1OPRL1
Trifluoroacetic Acid SCHEMBL20211000 0.87 OPRM1 (0.39) OPRM1VNN1PRCPCHIT1OPRL1
Trifluoroacetic Acid SCHEMBL17444059 0.87 OPRM1 (0.48) OPRM1PRCPOPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL20210987 0.87 OPRM1 (0.48) OPRM1PRCPOPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL17444194 0.87 OPRM1 (0.48) OPRM1PRCPOPRL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP claimed
EP-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
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