SCHEMBL2701611

SCHEMBL2701611

CCc1cc(C)c[nH]1

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
SCHEMBL13117522 0.80
SCHEMBL25922583 0.77
SCHEMBL18521877 0.77
SCHEMBL28822944 0.77 HRH3 (0.44)
SCHEMBL891414 0.74
SCHEMBL23488394 0.73
SCHEMBL15537025 0.73 HMBS (0.44)
SCHEMBL19007328 0.72
SCHEMBL12493929 0.72
SCHEMBL25422518 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558979-B1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-02-17 EP disclosed
CN-105960402-B Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2019-06-28 CN disclosed
CN-109755647-A A kind of magnesium battery electrolyte 麻城市天力科技有限公司 2019-05-14 CN disclosed
US-20170333442-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-11-23 US disclosed
US-20170238587-A1 IMPROVED FOOD PRODUCTS FROM LEGUMES GRANUM (OVERSEAS) PTY LTD (AU) 2017-08-24 US disclosed
EP-3102570-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2016-12-14 EP disclosed
EP-2450992-B1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR TOKAI CARBON KK (JP) 2016-11-23 EP disclosed
CN-105960402-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-09-21 CN disclosed
US-20160257865-A1 USE OF EPOXY FILM ADHESIVE WITH HIGH INK COMPATIBILITY AND THERMAL OXIDATIVE STABILITY FOR PRINTHEAD INTERSTITIAL BONDING IN HIGH DENSITY PRINTHEADS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2016-09-08 US disclosed
WO-2016058057-A1 IMPROVED COSMETIC AND PERSONAL CARE PRODUCTS FROM LEGUMES BLUE RIBBON ROASTING PTY LTD (AU) 2016-04-21 WO disclosed
WO-2015117563-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-13 WO disclosed
CN-103698456-B Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2015-07-15 CN disclosed
CN-104277061-A Boric acid fluorescence molecular probe as well as preparation method and application thereof SUZHOU FUDUN SPECTRUM INSTR CO LTD 2015-01-14 CN disclosed
CN-103698456-A Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2014-04-02 CN disclosed
US-8524129-B2 Method for producing a fuel cell separator TOKAI CARBON CO., LTD. (JP) 2013-09-03 US disclosed
US-20120161352-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR TOKAI CARBON CO., LTD. (JP) 2012-06-28 US disclosed
EP-2450992-A1 METHOD FOR PRODUCING A FUEL CELL SEPARATOR Tokai Carbon Co., Ltd. (JP) 2012-05-09 EP disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 WO disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
EP-1850460-A2 Winding insulation applied with a single vacuum pressure impregnation Hitachi, Ltd. (JP) 2007-10-31 EP disclosed