SCHEMBL4801719

SCHEMBL4801719

CC(O)C(C)n1c(=O)n(C(C)C(C)O)c(=O)n(C(C)C(C)O)c1=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
SCHEMBL11691076 0.79
SCHEMBL1244237 0.75 ALDH1A1 (0.31)
SCHEMBL24440550 0.72 ALDH1A1 (0.32)
SCHEMBL17924892 0.70 MGLL (0.38)
SCHEMBL1318483 0.67 ALDH1A1 (0.42)
SCHEMBL11493656 0.67 KDM4E (0.34)
SCHEMBL14037107 0.67 ADORA2B (0.32)
SCHEMBL10167160 0.65 POLB (0.35)
SCHEMBL21787983 0.59 ADORA2B (0.41)
SCHEMBL25061686 0.57 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
US-8262945-B2 Stabilization of photochromic systems BASF SE (DE) 2012-09-11 US disclosed
US-7786199-B2 Flame-retardants CIBA SPECIALTY CHEMICALS CORP. (US) 2010-08-31 US disclosed
US-20090312464-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-12-17 US disclosed
US-20090289236-A1 STABILIZATION OF PHOTOCHROMIC SYSTEMS DESTRO MARA 2009-11-26 US disclosed
US-20080269383-A1 Flame-Retardants CIBA SPECIALTY CEMICALS HOLDING INC. (CH) 2008-10-30 US disclosed
US-7425403-B2 Composition for forming anti-reflective coating for use in lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-16 US disclosed
US-7332266-B2 Composition for forming anti-reflective coating for use in lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-02-19 US disclosed
US-20080027160-A1 Weatherability of flame retardant polyolefin ZINGG JURG 2008-01-31 US disclosed
US-20040110096-A1 Composition for forming antireflection film for lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-10 US disclosed
EP-1378796-A1 COMPOSITION FOR FORMING ANTIREFLECTION FILM FOR LITHOGRAPHY Nissan Chemical Industries, Ltd. (JP) 2004-01-07 EP disclosed