SCHEMBL2363060

SCHEMBL2363060

NC1=C(C(=O)O)O1

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
SCHEMBL2783010 0.74
SCHEMBL10634210 0.69
SCHEMBL28867364 0.67
SCHEMBL11816743 0.60 TSHR (0.35)
SCHEMBL28397803 0.57 CYP1A2 (0.40)
SCHEMBL7058324 0.57 CYP1A2 (0.40)
Mellitic Acid SCHEMBL22971 0.52 CYP1A2 (0.50)
Mellitic Acid SCHEMBL23507 0.52 CYP1A2 (0.50)
SCHEMBL9635649 0.52 CA1 (0.40)
Carbamic Acid SCHEMBL75781 0.49

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086028-B1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP CORP NORTH AMERICA INC (US) 2002-06-12 EP claimed
US-6346308-B1 OXYGEN BARRIER LAMINATE LAYER PACKAGING MATERIAL, SCAVENGERS BP CORPORATION NORTH AMERICA INC. 2002-02-12 US claimed
EP-1086028-A1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP AMOCO CORPORATION (US) 2001-03-28 EP claimed
WO-1999015433-A1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP AMOCO CORPORATION (US) 1999-04-01 WO claimed
EP-2356160-A1 ACRYLATED EPOXY-AMINE OLIGOMERS Sun Chemical B.V. (NL) 2011-08-17 EP disclosed
WO-2010046351-A1 ACRYLATED EPOXY-AMINE OLIGOMERS SUN CHEMICAL B.V. (NL) 2010-04-29 WO disclosed
CN-1163384-C Active oxygen scavenger packaging BP 2004-08-25 CN disclosed
EP-1144259-B1 ACTIVE OXYGEN SCAVENGER PACKAGING BP CORP NORTH AMERICA INC (US) 2004-05-06 EP disclosed
US-6406766-B1 POLYESTER BLENDS BP CORPORATION NORTH AMERICA INC. 2002-06-18 US disclosed
EP-1086028-B1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP CORP NORTH AMERICA INC (US) 2002-06-12 EP disclosed
US-6346308-B1 OXYGEN BARRIER LAMINATE LAYER PACKAGING MATERIAL, SCAVENGERS BP CORPORATION NORTH AMERICA INC. 2002-02-12 US disclosed
CN-1332688-A Active oxygen scavenger packaging BP NORTH AMERICA CORP (US) 2002-01-23 CN disclosed
EP-1086028-A1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP AMOCO CORPORATION (US) 2001-03-28 EP disclosed
WO-1999015433-A1 ACTIVE OXYGEN SCAVENGER COMPOSITIONS AND THEIR USE IN PACKAGING ARTICLES BP AMOCO CORPORATION (US) 1999-04-01 WO disclosed