Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1996413

CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2[nH]c(NCc3ccccc3)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.53
CNR1 P21554 11/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 2/20 0.37
GCGR P47871 1/20 0.36

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 SCHEMBL249420 0.81 CNR2 (0.62) CNR2CNR1CYP2C9
SCHEMBL250363 0.79 CNR2 (0.67) CNR2CNR1CYP2C9
SCHEMBL249719 0.78 CNR2 (0.66) CNR2CNR1CYP2C9
SCHEMBL247887 0.75 CNR2 (0.69) CNR2CNR1CYP2C9
SCHEMBL249387 0.74 CNR2 (0.71) CNR2CNR1CYP2C9
SCHEMBL249803 0.74 CNR2 (0.67) CNR2CNR1CYP2C9
SCHEMBL247361 0.71 CNR2 (1.00) CNR2CNR1CYP2C9MEN1HTT
SCHEMBL29362406 0.71 CNR2 (1.00) CNR2CNR1CYP2C9MEN1HTT
Naphthoic Acid SCHEMBL27493013 0.70 CNR2 (0.91) CNR2CNR1CYP2C9MEN1HTT
SCHEMBL27557505 0.68 CNR2 (0.74) CNR2CNR1CYP2C9MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
US-7045533-B2 Such as naphthalen-1-yl-(4-pentyloxy-naphthalen-1-yl)-mehtane for treatment/prevention of diseases/conditions associated with cannobinoid receptor activation such as chronic pain, osteo- and rheumatoid arthritis, teno-synovitis and gout NOVARTIS AG (CH) 2006-05-16 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 WO disclosed