SCHEMBL30681663

SCHEMBL30681663

COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)N3CCC(=O)CC3(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL17381959 1.00 — —
SCHEMBL17789666 0.89 PIK3CD (0.33) —
SCHEMBL16377975 0.85 CCNA2 (0.36) —
SCHEMBL16377935 0.82 CCNA2 (0.40) —
SCHEMBL16340010 0.81 UGCG (0.30) —
SCHEMBL29670724 0.81 UGCG (0.44) —
SCHEMBL16339415 0.81 UGCG (0.44) —
SCHEMBL16377698 0.81 CCNA2 (0.30) —
SCHEMBL16340259 0.81 SCD5 (0.35) —
SCHEMBL16377729 0.81 PIK3CD (0.34) —

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-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
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