Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5039148

COCCN(Cc1cc(OC)c(OC)c(OC)c1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CRHR1 P34998 3/20 0.31
LDHA P00338 1/20 0.31
CETP P11597 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5778787 0.92 CRHR1 (0.33) CRHR1
Trifluoroacetic Acid SCHEMBL5043695 0.92 HTT (0.34) LMNASMN1; SMN2POLBCRHR1MEN1
Trifluoroacetic Acid SCHEMBL5048824 0.89 CRHR1 (0.40) SMN1; SMN2POLBCRHR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5525916 0.88 NR1H2 (0.35) PKMRXRARXRBRXRGCRHR1
Trifluoroacetic Acid SCHEMBL5039802 0.85 CACNA1B (0.34) CRHR1
Trifluoroacetic Acid SCHEMBL5044836 0.85 CRHR1 (0.36) CRHR1
SCHEMBL5772870 0.83 POLB (0.33) LMNAMAPTSMN1; SMN2POLBCRHR1
Trifluoroacetic Acid SCHEMBL5048861 0.83 MAPT (0.34) MAPTSMN1; SMN2POLBCRHR1
SCHEMBL5518460 0.81 CRHR1 (0.37) CRHR1
SCHEMBL5774524 0.80 CRHR1 (0.33) CRHR1

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-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7268146-B2 Ring fused pyrazole derivatives as CRF antagonists PALO ALTO LLC (US) 2007-09-11 US disclosed