SCHEMBL6972048

SCHEMBL6972048

CC(C)C(C)CBr

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
SCHEMBL23563389 1.00
SCHEMBL29890200 1.00
SCHEMBL4753898 0.82
SCHEMBL4755488 0.82
SCHEMBL4756993 0.82
SCHEMBL8373367 0.74
SCHEMBL10812627 0.74
SCHEMBL11688141 0.72
SCHEMBL16021047 0.72
SCHEMBL25247964 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
WO-2015176020-A1 SYNTHESIS OF OLEFINIC ALCOHOLS VIA ENZYMATIC TERMINAL HYDROXYLATION PROVIVI, INC. (US) 2015-11-19 WO disclosed
CN-102725099-A Flux composition for lead-free solder and lead-free solder paste ARAKAWA CHEMICAL IND 2012-10-10 CN disclosed
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
EP-0719839-B1 Phthalocyanine compounds and optical recording media comprising them MITSUI CHEMICALS INC (JP) 2001-07-25 EP disclosed
CN-1059904-C Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2000-12-27 CN disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
CN-1172809-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 1998-02-11 CN disclosed
US-5693396-A NEAR INFRARED LIGHT ABSORBERS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-12-02 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed
CN-1029398-C Process for preparing intermediates useful in the synthesis of steroids having optically active side chains WESONSIN ALUMNI RESEARCH FOUND (US) 1995-08-02 CN disclosed
EP-0386793-B1 NOVEL 1 ALPHA-HYDROXYVITAMIN D2 EPIMER AND DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-09 EP disclosed
EP-0386794-B1 METHOD FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF STEROID SIDE CHAINS IN OPTICALLY ACTIVE FORM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-01-27 EP disclosed
US-5089647-A Method for preparing intermediates for the synthesis of steroid side chains in optically active form WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-02-18 US disclosed
CN-1048849-A Preparation is used for synthetic side chain and has the method for the intermediate of optically active steroide WISCONSIN ALUMNI RES FOUND (US) 1991-01-30 CN disclosed
US-4973584-A OSTEOPOROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-11-27 US disclosed
WO-1990010618-A1 METHOD FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF STEROID SIDE CHAINS IN OPTICALLY ACTIVE FORM WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-09-20 WO disclosed
WO-1990010619-A1 NOVEL 1α-HYDROXYVITAMIN D2 EPIMER AND DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-09-20 WO disclosed
EP-0386793-A1 Novel 1 alpha-Hydroxyvitamin D2 epimer and derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-09-12 EP disclosed
EP-0386794-A1 Method for preparing intermediates for the synthesis of steroid side chains in optically active form WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-09-12 EP disclosed