SCHEMBL835470

SCHEMBL835470

COC(CCCBr)(OC)OC

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
SCHEMBL9265873 0.92
SCHEMBL26477012 0.74 ALDH1A1 (0.30)
SCHEMBL30140506 0.73 ALDH1A1 (0.36)
SCHEMBL594044 0.73 TSHR (0.35)
SCHEMBL14273633 0.72
SCHEMBL3913124 0.72
SCHEMBL11221623 0.71
SCHEMBL436734 0.71
SCHEMBL18138950 0.71
SCHEMBL11244658 0.71 TSHR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774764-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS Merck Sharp&Dohme Corp. (US) 2021-02-17 EP disclosed
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
CN-111971277-A Benzothiophenes and related compounds as STING agonists 默沙东公司 2020-11-20 CN disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 US disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
EP-3378882-B1 METHOD FOR PRODUCING POLYETHYLENE GLYCOL HAVING TERMINAL CARBOXY GROUP NOF CORP (JP) 2020-06-17 EP disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 US disclosed
US-10407543-B2 Method for producing polyethylene glycol having terminal carboxyl group NOF CORPORATION (JP) 2019-09-10 US disclosed
US-5674697-A High sensitivity immunoassay for polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans ECOCHEM RESEARCH, INC. (US) 1997-10-07 US disclosed
US-5633279-A 5-substituted derivatives of mycophenolic acid SYNTEX (U.S.A.) INC. (US) 1997-05-27 US disclosed
EP-0745073-A1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1996-12-04 EP disclosed
US-5538852-A QUALITATIVE OR QUANTITATIVE ANALYSIS WITH COMPETITORS AND ANTIBODIES ECOCHEM RESEARCH, INC. (US) 1996-07-23 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO disclosed
US-5493030-A CHEMICAL INTERMEDIATES SYNTEX (U.S.A.) INC. (US) 1996-02-20 US disclosed
WO-1995022538-A1 5-SUBSTITUTED DERIVATIVES OF MYCOPHENOLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-08-24 WO disclosed
WO-1993012137-A1 PHARMACEUTICAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-06-24 WO disclosed
US-4958037-A HYPOTENSIVE, VASODILATION AMERICAN CYANAMID COMPANY (US) 1990-09-18 US disclosed
EP-0213313-A2 Precursors and synthesis of methyl-9-oxo-11 alpha, 16-dihydroxy-16-vinyl-5-cis-13-trans prostadienoates AMERICAN CYANAMID COMPANY (US) 1987-03-11 EP disclosed