SCHEMBL1107779

SCHEMBL1107779

CC1(C)C=CC=N1

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
SCHEMBL27705139 0.97
SCHEMBL27326215 0.97
SCHEMBL27742762 0.97
SCHEMBL9033540 0.88
SCHEMBL20030014 0.83
SCHEMBL26847538 0.83
Heptane SCHEMBL28128722 0.81 TSHR (0.35)
SCHEMBL29224578 0.69
SCHEMBL6421998 0.69
SCHEMBL22152218 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986876-A A kind of fluorescence probe for targetting mark eye lens epithelial cell, its preparation and application 北京理工大学 2017-07-28 CN claimed
CN-103344639-B The detector tube of pyrroles's adduct in a kind of quick detection urine SHANDONG UNIVERSITY (CN) 2015-10-28 CN claimed
CN-102471309-B Imidazole derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE 2014-09-03 CN claimed
CN-103344639-A Detector tube for quickly detecting pyrrole adduct in urine UNIV SHANDONG 2013-10-09 CN claimed
CN-101775011-B N-substituted phenyl-3-methylene heterocyclic arene-2,5-dimethylpyrrole compound and application thereof in anti-HIV/AIDS INST PHARM & TOXICOLOGY AMMS 2013-07-31 CN claimed
CN-101827593-B Isothiazolopyridinones for the treatment of (in particular) cystic fibrosis VERTEX PHARMA 2013-07-24 CN claimed
CN-102827198-A Organoaminosilane precursors and methods for making and using same AIR PROD & CHEM 2012-12-19 CN claimed
CN-102781888-A Highly Z-selective olefin metathesis MASSACHUSETTS INST TECHNOLOGY 2012-11-14 CN claimed
CN-102596408-A Catalyst System And Processes For The (co-)trimerization Of Olefins And The (co-)polymerization Of Olefin Oligomers CLOSED JOINT STOCK COMPANY SIBUR HOLDING 2012-07-18 CN claimed
CN-102558107-A Process for preparing tris (tetrahydrofuran)-trihalogenated chromium and application thereof for preparing olefin oligomerization catalyst CHINA PETROLEUM & CHEMICAL 2012-07-11 CN claimed
CN-1930128-A Quinoline intermediates of receptor tyrosine kinase inhibitors and synthesis thereof WYETH CORP (US) 2007-03-14 CN claimed
CN-1913865-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-02-14 CN claimed
EP-1730119-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-13 EP claimed
WO-2005092864-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-06 WO claimed
CN-1622946-A Methods of treating conditions associated with p38 kinase and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-06-01 CN claimed
CN-1409694-A Hydrocarbon conversion process SASOL TECH PTY LTD (ZA) 2003-04-09 CN claimed
CN-1083299-C Metallic sheet having rust-preventive organic coating thereon, process for production thereof and treating fluid therefor NIPPON STEEL CORP (JP) 2002-04-24 CN claimed
CN-1064367-C Preparing catalyst for olefin polymerization PHILLIPS PETROLEUM CO (US) 2001-04-11 CN claimed
CN-1207694-A Metallic sheet having rust-preventive organic coating thereon, process for production thereof and treating fluid therefor NIPPON STEEL CORP (JP) 1999-02-10 CN claimed
CN-1110682-A Process for the sulphinylation of heterocyclic compounds RHONE POULENC AGROCHIMIE (FR) 1995-10-25 CN claimed