SCHEMBL9972845

SCHEMBL9972845

N#COCCCCCCOc1nc(OCCCCCCN=C=O)nc(OCCCCCCN=C=O)n1

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
SCHEMBL14530247 0.89 NAAA (0.33)
SCHEMBL11963657 0.85
SCHEMBL801020 0.85
SCHEMBL12752098 0.85
SCHEMBL11963660 0.85
SCHEMBL19213911 0.85
SCHEMBL822205 0.83
SCHEMBL4094756 0.78
SCHEMBL13556410 0.75
SCHEMBL18805721 0.75

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-RE43480-E1 Coated optical fiber and curable compositions suitable for coating optical fiber CORNING INCORPORATED (US) 2012-06-19 US disclosed