SCHEMBL24519331

SCHEMBL24519331

BC(B)(B)NC(=O)[C@H]1CCC[C@@H](N(C(=O)c2nn(-c3ccsc3)c3c2COc2cc(OC)c(C=C(C)C)cc2-3)C(B)(B)B)C1

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
SCHEMBL24519348 0.93 — —
SCHEMBL17789675 0.83 — —
SCHEMBL22626489 0.82 NR1H4 (0.30) —
SCHEMBL17789726 0.82 — —
SCHEMBL24519317 0.81 NR1H4 (0.31) —
SCHEMBL16377688 0.79 PDE7A (0.30) —
SCHEMBL22626618 0.79 NR1H4 (0.31) —
SCHEMBL22626563 0.79 — —
SCHEMBL22626505 0.79 NR1H4 (0.38) —
SCHEMBL22626591 0.79 CCNA2 (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
US-11365199-B2 Pyrazole compounds as modulators of FSHR and uses thereof MERCK PATENT GMBH (DE) 2022-06-21 — — US disclosed
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