SCHEMBL28622659

SCHEMBL28622659

NC1=C2N=C(C=C3C=CC(=N3)C=C3C=CC(=N3)C=C3C=CC1=N3)C(c1ccccc1)=C2N

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
SCHEMBL9294829 0.89 — —
SCHEMBL27768935 0.86 — —
SCHEMBL28582789 0.84 — —
SCHEMBL28107586 0.82 — —
SCHEMBL28980685 0.79 — —
SCHEMBL17999659 0.78 — —
SCHEMBL27918999 0.78 — —
SCHEMBL28045760 0.77 — —
SCHEMBL28494109 0.76 — —
SCHEMBL28669090 0.76 — —

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
CN-109223708-B Anti-tumor medicinal composition of cross-linked sodium hyaluronate and preparation method and application thereof 上海景峰制药有限公司 2021-07-20 — — CN disclosed
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