SCHEMBL1865680

SCHEMBL1865680

C#CCC1CCCO1

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
SCHEMBL31673078 0.93
SCHEMBL4410177 0.93
SCHEMBL28302428 0.91 HPGD (0.35)
SCHEMBL2002222 0.76 EPHX1 (0.42)
SCHEMBL3370950 0.76
SCHEMBL18541673 0.76
SCHEMBL2152919 0.76
SCHEMBL18541742 0.76
SCHEMBL1399166 0.76
SCHEMBL6545557 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
EP-4353235-A2 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2024-04-17 EP disclosed
CN-112521387-B NLRP3 modulators 先天肿瘤免疫公司 2023-08-22 CN disclosed
EP-3784670-A1 NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2021-03-03 EP disclosed
US-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-9688669-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
US-20160237072-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
CN-101309900-B Substituted cycloalkene derivative DAIICHI SANKYO CO LTD 2015-04-22 CN disclosed
WO-2015054103-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 WO disclosed
WO-2015054103-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 WO disclosed
CN-102333760-B Halogen-containing organosulfur compounds and use thereof for controlling arthropod pest SUMITOMO CHEMICAL CO 2014-04-09 CN disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
CN-101309900-A Substituted cycloalkene derivative DAIICHI SANKYO CO LTD (JP) 2008-11-19 CN disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed