Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30833353

NC(=O)c1ccc(N2CCC(CN3CCNCC3)CC2)nn1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
CHRNA7 P36544 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
SCD O00767 3/20 0.38
HPGDS O60760 1/20 0.36
DGAT1 O75907 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL30833344 0.93 BPTF (0.39) ARSCDLMNAHTT
Trifluoroacetic Acid SCHEMBL30054159 0.88 SCD (0.42) ARHRH4SCDHPGDSHRH3
SCHEMBL27169500 0.80 MEN1 (0.43) ARSCD
SCHEMBL30349708 0.77 LMNA (0.43) SCDLMNAHTT
SCHEMBL29942240 0.77 BPTF (0.54) HRH3HTT
Trifluoroacetic Acid SCHEMBL8126751 0.76 ADRB2 (0.48) HRH4DPP4DPP8DPP9
SCHEMBL22565347 0.76 PRKAA2 (0.47) ARHPGDS
SCHEMBL30460341 0.76 BPTF (0.41) HRH3LMNAHTT
Trifluoroacetic Acid SCHEMBL30349693 0.75 OPRM1 (0.48) HPGDSHRH3LMNA
Trifluoroacetic Acid SCHEMBL30066576 0.72 HPGDS (0.40) HRH4HPGDSDGAT1HRH3LMNA

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-117580839-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2024-02-20 CN disclosed