SCHEMBL22626468

SCHEMBL22626468

COc1cc2c(cc1[S+]([O-])C(C)C)-c1c(c(C(=O)N(C(O)(O)O)C3(C)COC3)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
SCHEMBL22626265 0.87 — —
SCHEMBL22626612 0.85 — —
SCHEMBL22626610 0.83 — —
SCHEMBL22626425 0.83 — —
SCHEMBL24519295 0.81 — —
SCHEMBL24519324 0.80 — —
SCHEMBL24519314 0.79 — —
SCHEMBL22626342 0.78 — —
SCHEMBL22626514 0.78 — —
SCHEMBL22626405 0.77 — —

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-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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