SCHEMBL1964113

SCHEMBL1964113

O=C(O)Oc1cc[nH]n1

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
SCHEMBL27831921 0.84
SCHEMBL20495492 0.84
SCHEMBL29008890 0.83
SCHEMBL26913115 0.82
SCHEMBL29078973 0.80
SCHEMBL6970368 0.80
SCHEMBL4275360 0.80
SCHEMBL27630468 0.80
SCHEMBL2925168 0.80
SCHEMBL25218509 0.78 ALDH1A1 (0.31)

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969589-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2015-03-03 US claimed
US-20130165665-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-06-27 US claimed
EP-2220168-B1 BLACK INK-JET INKS WITH REDUCED LIGHTNESS AND HAZE HEWLETT PACKARD DEVELOPMENT CO (US) 2012-07-25 EP claimed
WO-2012022865-A3 DEVICE FOR ASSEMBLING A VEHICLE ENGINE AUTOMATIC STOP-START ASSEMBLY ON THE BODY SHELL STRUCTURE OF THE VEHICLE AND ASSOCIATED METHOD OF ASSEMBLY Peugeot Citroën Automobiles SA (FR) 2012-05-10 WO claimed
EP-1602658-B1 Tricyclic pyrazole derivatives as cannabinoid receptor antagonists NEUROSCIENZE PHARMANESS S C A R L (IT) 2011-12-07 EP claimed
JP-4727576-B2 2011-07-20 JP claimed
WO-2007071656-A1 METHOD FOR CONTROLLING RUSTING IN LEGUMINOUS PLANTS BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 WO claimed
JP-2007506673-A 2007-03-22 JP claimed
EP-1644314-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS Bayer CropScience Aktiengesellschaft (DE) 2006-04-12 EP claimed
WO-2005003077-A1 METHOD FOR PRODUCING DIFLUORO-ACETYL-ACETIC ACID ALKYLESTERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-13 WO claimed
EP-0743523-B1 Dye-based reference material, preparation and use thereof BAYER AG (US) 2002-08-28 EP claimed
EP-0658546-B1 Novel 3-pyrazolecarboxamide derivatives with cannabinoid receptor affinity SANOFI SYNTHELABO (FR) 2001-05-23 EP claimed
EP-0868420-B1 3-PYRAZOLECARBOXAMIDE DERIVATIVES HAVING CANNABINOID RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2000-03-29 EP claimed
EP-0576357-B1 Pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-03-05 EP claimed
US-8969589-B2 Compounds acting at multiple prostaglandin receptors giving a general anti-inflammatory response ALLERGAN, INC. (US) 2015-03-03 US disclosed
EP-2794574-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2014-10-29 EP disclosed
EP-2657228-A1 Pyrazole synthesis by the coupling of carboxylic acid derivatives and enamines Westfälische Wilhelms-Universität Münster (DE) 2013-10-30 EP disclosed
WO-2000010978-A1 METHOD FOR PREPARING 1-ALKYL-PYRAZOL-5-CARBOXYLIC ACID ESTERS III BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed
WO-1999059528-A2 AGENTS AND METHOD FOR PRODUCING TEMPORARY COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 EP disclosed