Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7399109

CC1(N)CN(CCc2cccc(Cl)c2)C1=O.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
DAO P14920 1/20 0.40
PRCP P42785 1/20 0.39
AMPD2 Q01433 1/20 0.39
PLA2G1B P04054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SLC2A1 P11166 1/20 0.38
MAOB P27338 1/20 0.37
ADORA2A P29274 1/20 0.37
MAPT P10636 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL7399464 0.78 DAO (0.45) DAOMAOBADORA2AMAPTMEN1
Trifluoroacetic Acid SCHEMBL6379102 0.73 TAAR1 (0.69) GRM2GRM3MAOBMEN1ALDH1A1
SCHEMBL7390926 0.72 MEN1 (0.43) DAOL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL7395882 0.71 PTGDR2 (0.45) DAOMEN1KMT2ATAAR1
Trifluoroacetic Acid SCHEMBL5073553 0.70 TAAR1 (0.71) SLC2A1MEN1ALDH1A1HPGDKMT2A
SCHEMBL7393426 0.69 TAAR1 (0.43) DAOMAOBADORA2AMAPTTAAR1
Trifluoroacetic Acid SCHEMBL6379095 0.68 HTR3E (0.54) GRM2GRM3PLA2G1BL3MBTL1ATG4B
Trifluoroacetic Acid SCHEMBL5073548 0.66 ALDH1A1 (0.54) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL7396414 0.66 OPRM1 (0.46) DAOL3MBTL1MAOBADORA2A
SCHEMBL7398712 0.66 ATM (0.55) L3MBTL1

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
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed