SCHEMBL799833

SCHEMBL799833

C/C=C\OC=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
SCHEMBL37346 1.00
SCHEMBL4625383 1.00
SCHEMBL714330 0.76
SCHEMBL87537 0.76
SCHEMBL3504356 0.76
SCHEMBL8741368 0.76
SCHEMBL703453 0.76
SCHEMBL12115727 0.76
SCHEMBL20662894 0.76 ALDH1A1 (0.48)
SCHEMBL17225201 0.76 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021163679-A1 METHODS FOR RAPID SYNTHESIS OF PYRANOANTHOCYANINS OHIO STATE INNOVATION FOUNDATION (US) 2021-08-19 WO disclosed
US-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9555023-B2 Pharmaceutical salts and polymorphs of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-9505774-B2 Polymorphic forms of icotinib maleate and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2016-11-29 US disclosed
US-20160137658-A1 POLYMORPHIC FORMS OF ICOTINIB MALEATE AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2016-05-19 US disclosed
US-20160101089-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2016-04-14 US disclosed
US-9221758-B2 Methods of synthesizing pharmaceutical salts of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20150203501-A1 MALEATE SALTS OF 6-(5-CHLORO-2-PYRIDYL)-5-[(4-METHYL-1-PIPERAZINYL)CARBONYLOXY]-7-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-b]PYRAZINE SUNOVION PHARMACEUTICALS INC. 2015-07-23 US disclosed
US-9061019-B2 Pharmaceutical salts and polymorphs of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-8987463-B2 Methods of synthesizing factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8394964-B2 Methods of synthesizing factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-12 US disclosed
US-20120238580-A1 MALEATE SALTS OF 6-(5-CHLORO-2-PYRIDYL)-5-[(4-METHYL-1-PIPERAZINYL)CARBONYLOXY]-7-OXO-6,7-DIHYDRO-5H-PYRROLO[3,4-b]PYRAZINE SUNOVION PHARMACEUTICALS INC. (US) 2012-09-20 US disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
US-20120071519-A1 CRYSTALLINE FORMS OF A FACTOR Xa INHIBITOR ALEXION PHARMACEUTICALS, INC. 2012-03-22 US disclosed
US-20120046230-A1 Combination Anticoagulant Therapy With A Compound That Acts As A Factor Xa Inhibitor MILLENNIUM PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20110319627-A1 METHODS OF SYNTHESIZING FACTOR Xa INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-29 US disclosed
US-7985502-B2 Containing formic ester additive; cycling properties, electrical capacity, storage during charging UBE INDUSTRIES, LTD. (JP) 2011-07-26 US disclosed
US-20110033459-A1 COMBINATION THERAPY WITH A COMPOUND ACTING AS A PLATELET ADP RECEPTOR INHIBITOR PORTOLA PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed