SCHEMBL3799377

SCHEMBL3799377

CC(C)(C)C(Br)C=O

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
SCHEMBL8883510 0.71
SCHEMBL2656740 0.68
SCHEMBL9902932 0.67
SCHEMBL12712951 0.65
SCHEMBL11214051 0.65
SCHEMBL4050156 0.65
SCHEMBL28679027 0.63
SCHEMBL300957 0.62
SCHEMBL28754513 0.62
SCHEMBL5177638 0.62

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
WO-2013035650-A9 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-13 WO disclosed
WO-2013035650-A1 METHOD FOR PRODUCING ALPHA - HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-14 WO disclosed
US-7906629-B2 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2011-03-15 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
US-20070276142-A1 Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds CHEMINOVA A/S (DK) 2007-11-29 US disclosed
US-20070148708-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SIGLER GERALD F 2007-06-28 US disclosed
EP-1716088-A1 CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ALPHA-HALO-CAR BONYL COMPOUNDS Cheminova A/S (DK) 2006-11-02 EP disclosed
WO-2005080298-A1 CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE α-HALO-CARBONYL COMPOUNDS CHEMINOVA A/S (DK) 2005-09-01 WO disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0178166-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1990-08-29 EP disclosed
EP-0178788-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL KONICA CORPORATION (JP) 1990-01-31 EP disclosed
US-4675280-A LIGHTFAST AND FORMACIN RESISTANT KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-06-23 US disclosed
US-4665015-A LIGHT FAST DYE IMAGE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-05-12 US disclosed
EP-0178788-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1986-04-23 EP disclosed
EP-0178166-A1 Silver halide color photographic material KONICA CORPORATION (JP) 1986-04-16 EP disclosed