SCHEMBL83728

SCHEMBL83728

[CH2]C(C)(C)CC([CH2])(C)C

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
SCHEMBL1968137 0.82
SCHEMBL6552457 0.76
SCHEMBL626234 0.76
SCHEMBL17607672 0.73 TSHR (0.35)
SCHEMBL6441329 0.73
SCHEMBL1971304 0.73 TSHR (0.35)
SCHEMBL11854359 0.71
SCHEMBL17607440 0.71
SCHEMBL9574541 0.70 ALDH1A1 (0.33)
SCHEMBL10975 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492265-A1 1,2,4-Thiadiazole Compounds and Pests Controlling Composition Containing the same Sumitomo Chemical Company, Limited (JP) 2012-08-29 EP disclosed
US-20120088914-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-12 US disclosed
US-8129526-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
EP-1809610-B1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7973028-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-7968537-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1622879-B1 PYRIMIDINE COMPOUNDS AND PESTS CONTROLLING COMPOSITIONS CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2011-04-27 EP disclosed
US-7928110-B2 Pyrimidine compound and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-19 US disclosed
EP-1809610-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2007-07-25 EP disclosed
EP-1765798-A2 1,2,4- THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
US-20070004722-A1 1,2,4-Thiadazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-04 US disclosed
US-20060199800-A1 Pyrimidine compounds and pests controlling composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-07 US disclosed
WO-2006051891-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-18 WO disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
WO-2005037805-A2 1,2,4-THIADIAZOLE COMPOUNDS AND PESTS CONTROLLING COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 WO disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO disclosed