SCHEMBL2246783

SCHEMBL2246783

O=CC1C=C([N+](=O)[O-])C=CC1(O)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
SCHEMBL1426082 0.83
SCHEMBL6980831 0.80
SCHEMBL31327424 0.72
SCHEMBL27506409 0.71
SCHEMBL25407639 0.68
SCHEMBL29103356 0.67
SCHEMBL28907021 0.67
SCHEMBL8357908 0.66 HSD17B10 (0.40)
SCHEMBL2405021 0.66
SCHEMBL28411068 0.64

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
US-8283015-B2 Authenticatable articles and methods therefor SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-10-09 US disclosed
US-20110196075-A1 AUTHENTICATABLE ARTICLES AND METHODS THEREFOR SABIC INNOVATIVE PLASTICS IP B.V. 2011-08-11 US disclosed
WO-2008042497-A2 BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS USEFUL AS AUTHENTICATION COMPOUNDS IN POLYMER ARTICLES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-04-10 WO disclosed
US-20080081210-A1 AUTHENTICATABLE ARTICLES AND METHODS THEREFOR GENERAL ELECTRIC COMPANY (US) 2008-04-03 US disclosed
WO-2008039587-A1 AUTHENTICATABLE POLYMER ARTICLES COMPRISING BENZOXAZOLE AND BENZOTHIAZOLE AUTHENTICATION COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2008-04-03 WO disclosed
US-20080081913-A1 BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS THEREFOR GENERAL ELECTRIC COMPANY (US) 2008-04-03 US disclosed