SCHEMBL5694035

SCHEMBL5694035

CC1CCCC(C)C1.CCC(CN=C=O)N=C=O

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
SCHEMBL48787 0.81
SCHEMBL7157145 0.73 TRPA1 (0.30)
SCHEMBL21175575 0.69
SCHEMBL7922588 0.67 ALDH1A1 (0.32)
SCHEMBL4105622 0.66
SCHEMBL332238 0.66
SCHEMBL192327 0.66
SCHEMBL27859365 0.66
SCHEMBL29263109 0.66
SCHEMBL9064168 0.65

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150174-B1 Dry toner, and its production process SEIKO EPSON CORP (JP) 2006-06-14 EP disclosed
US-7018766-B2 Toner and production process thereof SEIKO EPSON CORPORATION (JP) 2006-03-28 US disclosed
US-20040143036-A1 Toner and production process thereof SEIKO EPSON CORPORATION 2004-07-22 US disclosed
US-6472116-B2 BINDER OBTAINED BY BULK POLYMERIZATION OF A DIISOCYANATE AND A COMPOUND HAVING ACTIVE HYDROGEN GROUPS SUCH AS ETHOXYLATED BISPHENOL A TO FORM URETHANE OR UREA BONDS, THE POLYMER OF GIVEN AVERAGE MOLECULAR WEIGHT; CONTINUOUS PRODUCTIVITY SEIKO EPSON CORPORATION (JP) 2002-10-29 US disclosed
US-20020006568-A1 Dry toner, and its production process SEIKO EPSON CORPORATION (JP) 2002-01-17 US disclosed
EP-1150174-A1 Dry toner, and its production process Seiko Epson Corporation (JP) 2001-10-31 EP disclosed