SCHEMBL28045760

SCHEMBL28045760

NC1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=C(N)C1=N2)C(c1ccccc1)=C5c1ccccc1)C=C4)C=C3

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
SCHEMBL27768935 0.84 — —
SCHEMBL28494109 0.84 — —
SCHEMBL27576024 0.80 CYP3A4 (0.31) —
SCHEMBL613742 0.80 — —
Hydrochloric Acid SCHEMBL3190944 0.80 — —
SCHEMBL23704657 0.80 — —
SCHEMBL16440032 0.80 — —
SCHEMBL7165138 0.80 — —
SCHEMBL28518152 0.80 — —
SCHEMBL11869329 0.80 — —

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-105085710-A Amino-sulfonyl phenyl porphyrin-hyaluronic acid polymer and preparation method and application thereof UNIV CHANGCHUN SCIENCE & TECH 2015-11-25 — — CN disclosed
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