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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28699994

CC(O)[C@H]1CN(C2CCNCC2)[C@@H](Cc2ccc(Cl)cc2)CO1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.51
▸ CHIT1 Q13231 13/20 0.49
▸ CHIA Q9BZP6 10/20 0.49
▸ CHI3L1 P36222 5/20 0.49
▸ CHI3L2 Q15782 1/20 0.41

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 SCHEMBL28699995 1.00 KCNH2 (0.51) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22903505 0.92 CHIT1 (0.54) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22901882 0.92 CHIT1 (0.54) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22903498 0.92 CHIT1 (0.54) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL22901938 0.92 CHIT1 (0.54) KCNH2CHIT1CHIACHI3L1CHI3L2
Trifluoroacetic Acid SCHEMBL28708500 0.87 KCNH2 (0.58) KCNH2CHIT1CHIACHI3L1CHI3L2
Trifluoroacetic Acid SCHEMBL18577234 0.86 CHIT1 (0.57) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26219888 0.85 CHIA (0.63) KCNH2CHIT1CHIACHI3L1CHI3L2
SCHEMBL26211089 0.85 CHIA (0.63) KCNH2CHIT1CHIACHI3L1CHI3L2
Trifluoroacetic Acid SCHEMBL28700007 0.85 KCNH2 (0.55) KCNH2CHIT1CHIACHI3L1CHI3L2

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-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN disclosed
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