SCHEMBL22626517

SCHEMBL22626517

BC(B)(B)OCC1(C)CCCN1C(=O)c1nn(-c2ccsc2)c2c1COc1cc(OC)c(-c3ccn(C)c3)cc1-2

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
SCHEMBL22626393 0.94 — —
SCHEMBL17789701 0.92 — —
SCHEMBL24519326 0.91 — —
SCHEMBL16377784 0.91 — —
SCHEMBL22626640 0.87 — —
SCHEMBL24519320 0.87 — —
SCHEMBL22626532 0.86 — —
SCHEMBL24519337 0.85 PIK3CD (0.34) —
SCHEMBL16377955 0.83 UGCG (0.33) —
SCHEMBL17789699 0.83 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
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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