Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL11291163

COC(=O)C(CCSC)NC(=O)C(N)CC(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
PDF Q9HBH1 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39

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 SCHEMBL11291166 1.00 FNTA (0.42) FNTAFNTBCYP2C9ALDH1A1HTT
Trifluoroacetic Acid SCHEMBL1026991 0.86 BIRC2 (0.46)
SCHEMBL21327773 0.81 ALDH1A1 (0.47) FNTAFNTBCYP2C9ALDH1A1HTT
SCHEMBL4957483 0.81 ALDH1A1 (0.47) FNTAFNTBCYP2C9ALDH1A1HTT
SCHEMBL31372921 0.81 FOLH1 (0.55) FNTAFNTB
SCHEMBL9561661 0.81 FOLH1 (0.55) FNTAFNTB
SCHEMBL11141977 0.81 FOLH1 (0.55) FNTAFNTB
SCHEMBL2545495 0.81 FOLH1 (0.55) FNTAFNTB
Trifluoroacetic Acid SCHEMBL8763902 0.79 CYP2C9 (0.49) CYP2C9ALDH1A1HTTL3MBTL1GAA
Acetic Acid SCHEMBL11146195 0.78 FOLH1 (0.52) FNTAFNTB

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
US-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 US disclosed