Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30386141

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)C(C(=O)OC)C1.CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)C(C(=O)OC)C1.CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)C(C(=O)OC)C1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33

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
SCHEMBL24112475 0.97 PTK6 (0.35) PTK6
SCHEMBL32675690 0.97 PTK6 (0.35) PTK6
Trifluoroacetic Acid SCHEMBL25170423 0.96 PTK6 (0.32) PTK6
SCHEMBL24112470 0.93 PTK6 (0.34) PTK6
SCHEMBL32675699 0.93 PTK6 (0.34) PTK6
Trifluoroacetic Acid SCHEMBL30385230 0.93 PTK6 (0.36) PTK6
Trifluoroacetic Acid SCHEMBL25176066 0.89 PTK6 (0.37) PTK6
SCHEMBL32675710 0.89 PTK6 (0.39) PTK6
SCHEMBL24112644 0.89 PTK6 (0.39) PTK6
Trifluoroacetic Acid SCHEMBL25176135 0.86 PTK6 (0.34) PTK6

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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