SCHEMBL12373844

SCHEMBL12373844

Nc1ccccc1/C1=C2\C=CC(=N2)/C(c2ccccc2N)=c2/cc/c([nH]2)=C(\c2ccccc2N)C2=N/C(=C(/c3ccccc3N)C3CC=C1N3)C=C2

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
SCHEMBL10002105 0.78 — —
SCHEMBL10524681 0.74 — —
SCHEMBL10525261 0.73 — —
SCHEMBL15178544 0.71 — —
SCHEMBL12373667 0.71 — —
SCHEMBL8082647 0.70 KDM4E (0.31) —
SCHEMBL10074547 0.70 — —
SCHEMBL3118129 0.69 ALDH1A1 (0.46) —
SCHEMBL9559683 0.69 — —
SCHEMBL15204788 0.67 MAOA (0.31) —

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-20110197503-A1 LIGHT GUIDING FILM AND PLANT GROWING METHOD USING THE LIGHT GUIDING FILM FUJIFILM CORPORATION (JP) 2011-08-18 — — US disclosed
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