Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30385645

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC(C(=O)OC)C1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1.CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC(C(=O)OC)C1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1.O=C([O-])C(F)(F)F.O=C[O-]

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 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
SCHEMBL24112401 0.95 PTK6 (0.33) PTK6
Trifluoroacetic Acid SCHEMBL30385667 0.90 PTK6 (0.33) PTK6
SCHEMBL25451116 0.90 PTK6 (0.31) PTK6
Trifluoroacetic Acid SCHEMBL30385961 0.90 TTK (0.30) —
Trifluoroacetic Acid SCHEMBL30385519 0.89 TTK (0.31) —
Trifluoroacetic Acid SCHEMBL30385606 0.89 TTK (0.30) —
Trifluoroacetic Acid SCHEMBL30386467 0.88 PTK6 (0.30) PTK6
Trifluoroacetic Acid SCHEMBL30386143 0.87 TTK (0.34) PTK6
SCHEMBL25451152 0.86 PTK6 (0.35) PTK6
Trifluoroacetic Acid SCHEMBL30385559 0.86 TTK (0.33) —

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
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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