Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20210987

CN(C)C1(c2ccccn2)CCC2(CC1)CC(=O)N(CC(C)(C)C(N)=O)C2.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 18/20 0.48
▸ OPRL1 P41146 4/20 0.39
▸ HSD11B1 P28845 1/20 0.35
▸ PRCP P42785 1/20 0.34

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 SCHEMBL17444194 1.00 OPRM1 (0.48) OPRM1OPRL1HSD11B1PRCP
Trifluoroacetic Acid SCHEMBL17444059 1.00 OPRM1 (0.48) OPRM1OPRL1HSD11B1PRCP
SCHEMBL17443881 0.94 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL17443879 0.94 OPRM1 (0.50) OPRM1OPRL1
Hydrochloric Acid SCHEMBL17444033 0.90 OPRM1 (0.43) OPRM1OPRL1
Hydrochloric Acid SCHEMBL17444032 0.90 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL17443821 0.87 OPRM1 (0.44) OPRM1OPRL1HSD11B1
SCHEMBL17443820 0.87 OPRM1 (0.44) OPRM1OPRL1HSD11B1
Trifluoroacetic Acid SCHEMBL20210984 0.87 OPRM1 (0.43) OPRM1OPRL1HSD11B1PRCP
Trifluoroacetic Acid SCHEMBL17444198 0.87 OPRM1 (0.43) OPRM1OPRL1HSD11B1PRCP

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
Send feedback