Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28686339

Nc1nnc(N2CCC(N3C[C@H](CN4CCCCC4)OC[C@@H]3Cc3ccc(Cl)cc3)CC2)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 15/20 0.63
▸ CHIT1 Q13231 9/20 0.63
▸ CHIA Q9BZP6 3/20 0.51

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 SCHEMBL28933799 0.99 KCNH2 (0.62) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28709517 0.94 KCNH2 (0.55) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28933798 0.93 KCNH2 (0.65) KCNH2CHIT1CHIA
SCHEMBL22903694 0.93 KCNH2 (0.72) KCNH2CHIT1CHIA
SCHEMBL22901817 0.93 KCNH2 (0.72) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28698735 0.92 KCNH2 (0.66) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28708507 0.92 KCNH2 (0.64) KCNH2CHIT1CHIA
SCHEMBL22903689 0.92 KCNH2 (0.71) KCNH2CHIT1CHIA
SCHEMBL22901736 0.92 KCNH2 (0.71) KCNH2CHIT1CHIA
Trifluoroacetic Acid SCHEMBL28692431 0.91 CHIT1 (0.65) KCNH2CHIT1CHIA

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-3999500-A1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS OncoArendi Therapeutics S.A. (PL) 2022-05-25 — — EP disclosed
CN-114174280-A Substituted aminotriazoles useful as chitinase inhibitors 昂科艾伦迪治疗法公司 2022-03-11 — — CN disclosed
Send feedback