O-Xylene

O-Xylene

SCHEMBL888078

CC(CCCCC(C)(C)N=C=O)N=C=O.Cc1ccccc1C

nearest known ligand 0.00

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⚠ 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
SCHEMBL54555 0.87
SCHEMBL14118745 0.85
SCHEMBL5462873 0.83
SCHEMBL28253208 0.82
SCHEMBL28831735 0.80
SCHEMBL5201501 0.78
SCHEMBL29085131 0.77
SCHEMBL28364515 0.77
1,6-Hexanediol SCHEMBL9720610 0.76
SCHEMBL14118699 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150062763-A1 DISCHARGE GAP FILLING COMPOSITION AND ELECTROSTATIC DISCHARGE PROTECTOR SHOWA DENKO K.K. (JP) 2015-03-05 US disclosed
US-20120006583-A1 DISCHARGE GAP FILLING COMPOSITION AND ELECTROSTATIC DISCHARGE PROTECTOR SHOWA DENKO K.K. (JP) 2012-01-12 US disclosed