Sugi Predict

Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL30385575

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCC1CCN(CCCC(=O)OC(C)(C)C)CC1.Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCC1CC[N+](C)(CCCC(=O)OC(C)(C)C)CC1.O=C[O-]

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.33
▸ 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
Formic Acid SCHEMBL25173600 0.96 TTK (0.35) TTKPTK6
SCHEMBL25176070 0.92 TTK (0.38) TTKPTK6
SCHEMBL25450786 0.87 TTK (0.39) TTKPTK6
Hydrochloric Acid SCHEMBL25173467 0.87 TTK (0.38) TTKPTK6
SCHEMBL24871007 0.86 TTK (0.39) TTKPTK6
Formic Acid SCHEMBL25169287 0.86 TTK (0.40) TTKPTK6
Hydrochloric Acid SCHEMBL30172087 0.85 TTK (0.39) TTKPTK6
Formic Acid SCHEMBL25173682 0.84 TTK (0.39) TTKPTK6
SCHEMBL22122961 0.84 TTK (0.40) TTKPTK6
SCHEMBL25450692 0.83 TTK (0.42) TTKPTK6

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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