Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30201771

NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
OPRM1 P35372 5/20 0.44
OPRD1 P41143 5/20 0.44
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ARG1 P05089 2/20 0.43
ARG2 P78540 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.41
KCNH2 Q12809 3/20 0.41
TEAD1 P28347 1/20 0.40
OPRK1 P41145 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
SCHEMBL30833207 0.91 LTA4H (0.48) LTA4HUBE2MDCUN1D1OPRM1OPRD1
Trifluoroacetic Acid SCHEMBL30201455 0.88 ARG1 (0.54) LTA4HOPRM1OPRD1MAPTMAPK1
Trifluoroacetic Acid SCHEMBL30201437 0.88 ARG1 (0.54) LTA4HOPRM1OPRD1MAPTMAPK1
Trifluoroacetic Acid SCHEMBL30201583 0.88 LTA4H (0.48) LTA4HOPRM1OPRD1MAPTARG1
Trifluoroacetic Acid SCHEMBL30201435 0.87 LTA4H (0.49) LTA4HOPRM1OPRD1ARG1ARG2
SCHEMBL9412870 0.79 KDM4E (0.42) LTA4HCYP3A4MAPTMAPK1SIGMAR1
SCHEMBL9412872 0.79 KDM4E (0.42) LTA4HCYP3A4MAPTMAPK1SIGMAR1
Trifluoroacetic Acid SCHEMBL30201381 0.78 KCNH2 (0.53) OPRM1ARG1ARG2KCNH2OPRK1
Trifluoroacetic Acid SCHEMBL30201414 0.78 OPRM1 (0.51) OPRM1OPRD1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL30201474 0.77 FAAH (0.41) LTA4HARG1ARG2SIGMAR1KCNH2

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
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed