SCHEMBL3027489

SCHEMBL3027489

C#CCC(C=O)CC

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
SCHEMBL6208050 0.77
SCHEMBL29715 0.76
SCHEMBL10786843 0.74
SCHEMBL8405269 0.74
SCHEMBL10923089 0.74
SCHEMBL17715108 0.71 TSHR (0.70)
SCHEMBL1950732 0.71 TSHR (0.55)
SCHEMBL3034746 0.70
2-Methylbutanal SCHEMBL15283172 0.70 TSHR (0.48)
SCHEMBL14587124 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10326138-B2 Charge storage material, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2019-06-18 US disclosed
EP-3122789-B1 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2019-05-08 EP disclosed
US-10263280-B2 9,10-Bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene polymers and use thereof EVONIK DEGUSSA GMBH (DE) 2019-04-16 US disclosed
US-10164258-B2 Fused-ring quinone-substituted polynorbornene, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-12-25 US disclosed
US-9890230-B2 Tetracyanoanthraquinodimethane polymers and use thereof EVONIK DEGUSSA GMBH (DE) 2018-02-13 US disclosed
US-9871253-B2 Ion-conductive fused-ring quinone polymer, electrode active material and secondary battery WASEDA UNIVERSITY (JP) 2018-01-16 US disclosed
US-9856336-B2 2018-01-02 US disclosed
US-20170179525-A1 NOVEL 9,10-BIS(1,3-DITHIOL-2-YLIDENE)-9,10-DIHYDROANTHRACENE POLYMERS AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2017-06-22 US disclosed
US-20170114162-A1 NOVEL TETRACYANOANTHRAQUINODIMETHANE POLYMERS AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2017-04-27 US disclosed
US-20170104214-A1 FUSED-RING QUINONE-SUBSTITUTED POLYNORBORNENE, ELECTRODE ACTIVE MATERIAL AND SECONDARY BATTERY WASEDA UNIVERSITY (JP) 2017-04-13 US disclosed
US-20130310378-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE INC. (US) 2013-11-21 US disclosed
EP-2202226-B1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2013-06-05 EP disclosed
US-8445686-B2 4-(4-pyridinyl)-benzamides and their use as rock activity modulators ABBVIE INC. (US) 2013-05-21 US disclosed
CN-101903349-A 4- (4-pyridinyl) -benzamides and their use as ROCK activity modulators ABBOTT GMBH & CO KG 2010-12-01 CN disclosed
US-20100273828-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-10-28 US disclosed
CN-101821239-A 3-alkoxyl group-1-phenylpyrazole derivatives and noxious organism control agent KUMIAI CHEMICAL INDUSTRY CO 2010-09-01 CN disclosed
US-20100210704-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVES AND PESTICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202226-A1 3-ALKOXY-1-PHENYLPYRAZOLE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry CO., LTD. (JP) 2010-06-30 EP disclosed
EP-2193119-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS Abbott GmbH & Co. KG (DE) 2010-06-09 EP disclosed
WO-2009027392-A1 4-(4-PYRIDINYL)-BENZAMIDES AND THEIR USE AS ROCK ACTIVITY MODULATORS ABBOTT GMBH & CO. KG (DE) 2009-03-05 WO disclosed