Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30874158

COc1ccccc1N1CCC(=O)NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.52
CRBN Q96SW2 6/20 0.52
TNKS O95271 3/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
TNKS2 Q9H2K2 2/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL30160700 0.88 CRBN (0.65) DDB1CRBNALDH1A1POLBATM
SCHEMBL25575695 0.88 CRBN (0.65) DDB1CRBNALDH1A1POLBATM
Trifluoroacetic Acid SCHEMBL30874165 0.82 PKM (0.39) DDB1CRBNPOLBKDM4E
Trifluoroacetic Acid SCHEMBL31630912 0.80 PKM (0.43) DDB1CRBNDRD2
SCHEMBL25905651 0.79 CRBN (0.56) DDB1CRBNTNKSTNKS2
Trifluoroacetic Acid SCHEMBL31255479 0.78 PKM (0.57) CRBNALDH1A1POLBKDM4E
Trifluoroacetic Acid SCHEMBL31255164 0.78 PKM (0.60) ALDH1A1POLBKDM4E
SCHEMBL25653902 0.76 CRBN (0.48) DDB1CRBNATMKDM4E
SCHEMBL23120569 0.75 CA12 (0.48) DDB1CRBNALDH1A1KDM4E
SCHEMBL21408886 0.75 KDM4E (0.50) DDB1CRBNALDH1A1KDM4E

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
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 CN disclosed