SCHEMBL2017105

SCHEMBL2017105

CC[CH]CN=C=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
SCHEMBL27721838 0.82
SCHEMBL7977064 0.79
SCHEMBL25206367 0.76
SCHEMBL3448596 0.75
SCHEMBL332239 0.74
SCHEMBL7987243 0.74 TSHR (0.39)
SCHEMBL7990983 0.72 TSHR (0.43)
SCHEMBL9356861 0.72 TSHR (0.43)
SCHEMBL17027537 0.72 TSHR (0.43)
SCHEMBL1711822 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102356499-B Electrolyte and secondary battery SONY CORP 2015-04-08 CN claimed
CN-102356499-A Electrolyte and secondary battery SONY CORP 2012-02-15 CN claimed
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC 2019-11-07 US disclosed
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2019-08-27 US disclosed
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TRANSTECH PHARMA, INC. 2018-12-20 US disclosed
US-10085990-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2018-10-02 US disclosed
US-20180071297-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2018-03-15 US disclosed
US-9833457-B2 Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2017-12-05 US disclosed
CN-104332655-B Electrolyte and secondary cell 索尼公司 2017-10-24 CN disclosed
US-20170252343-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS VTV THERAPEUTICS LLC 2017-09-07 US disclosed
EP-2244574-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF- SYNTHESIS AND AS PDE4 INHIBITORS High Point Pharmaceuticals, LLC (US) 2010-11-03 EP disclosed
US-20100190808-A1 Tricyclic Compounds As Modulators of TNF-alpha Synthesis HIGH POINT PHARMACEUTICALS, LLC. (US) 2010-07-29 US disclosed
WO-2009094528-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-α SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-07-30 WO disclosed
EP-0378930-B1 Cyclic urea derivative NIPPON PAINT CO LTD (JP) 1996-05-08 EP disclosed
US-5385985-A Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1995-01-31 US disclosed
EP-0164018-B1 CHROMOGENIC 4,4-DIARYL-DIHYDROQUINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1990-10-31 EP disclosed
US-4695633-A Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 EP disclosed
US-3950534-A Fungicidal composition containing 2-(N-n-butylcarbamoylthio) ethyl N1 -n-butyl-thiocarbamate NIPPON SODA COMPANY, LTD. (JA) 1976-04-13 US disclosed