SCHEMBL16552220

SCHEMBL16552220

CNc1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccccc3)C3N/C(=C(/c4ccccc4)c4ccc([nH]4)/C(c4ccccc4)=C4/C=CC2=N4)C(N)(N)C3(N)N)cc1

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
SCHEMBL17179810 0.87 NQO2 (0.32) —
SCHEMBL17550044 0.73 NQO2 (0.31) —
SCHEMBL14340320 0.69 — —
SCHEMBL10074547 0.69 — —
SCHEMBL20343490 0.66 — —
SCHEMBL14076169 0.65 — —
SCHEMBL2240992 0.64 RAB9A (0.30) —
SCHEMBL16924935 0.64 RAB9A (0.32) —
SCHEMBL6394347 0.64 KIF11 (0.37) —
SCHEMBL4047408 0.62 — —

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
WO-2015028574-A1 COMPOUND AND METHOD FOR VACCINATION AND IMMUNISATION PCI BIOTECH AS (NO) 2015-03-05 — — WO disclosed
WO-2015028575-A1 IMMUNISATION METHOD BY PHOTOCHEMICAL INTERNALISATION PCI BIOTECH AS (NO) 2015-03-05 — — WO disclosed
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