SCHEMBL4450586

SCHEMBL4450586

[N]=Nc1cc[c]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
SCHEMBL2884844 0.73 ALDH1A1 (0.44)
SCHEMBL5330624 0.69
SCHEMBL5469065 0.69
SCHEMBL11117729 0.69
SCHEMBL6769773 0.69
SCHEMBL135782 0.69
SCHEMBL1977990 0.67
SCHEMBL28280114 0.67
SCHEMBL148166 0.65 ALDH1A1 (0.67)
SCHEMBL148167 0.65 ALDH1A1 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378135-B2 Multifunctional alcohols obtained from cardanol, multifunctional acrylic crosslinker and pendant phosphorous flame retardant derivatives thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-02-19 US disclosed
US-20090240078-A1 MULTIFUNCTIONAL ALCOHOLS OBTAINED FROM CARDANOL, MULTIFUNCTIONAL ACRYLIC CROSSLINKER AND PENDANT PHOSPHOROUS FLAME RETARDANT DERIVATIVES THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-09-24 US disclosed
WO-2007077567-A1 MULTIFUNCTIONAL ALCOHOLS OBTAINED FROM CARDANOL, MULTIFUNCTIONAL ACRYLIC CROSSLINKER AND PENDANT PHOSPHOROUS FLAME RETARDANT DERIVATIVES THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-07-12 WO disclosed
US-4061627-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-12-06 US disclosed