SCHEMBL4996500

SCHEMBL4996500

BrCC1OCCCO1

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
SCHEMBL12496179 0.94
SCHEMBL169073 0.87
SCHEMBL19637957 0.84
SCHEMBL3655504 0.84
SCHEMBL30888737 0.79 TTR (0.35)
SCHEMBL628132 0.77
Magnesium SCHEMBL31150762 0.75 MEN1 (0.31)
SCHEMBL18282347 0.73 TSHR (0.33)
SCHEMBL3457354 0.73 TSHR (0.33)
SCHEMBL6923843 0.73 MEN1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108329312-B Tetracycline compounds 四相制药公司 2021-12-31 CN disclosed
CN-108329312-A Tetracycline compounds 四相制药公司 2018-07-27 CN disclosed
CN-108276404-A Tetracycline compounds 四相制药公司 2018-07-13 CN disclosed
CN-104768922-B Tetracycline compounds 四相制药公司 2018-04-03 CN disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
US-4707182-A Phenoxine-ketal ethers, compositions containing them and the use thereof CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4576628-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-03-18 US disclosed
US-4532732-A PLANT SAFENING AGENTS AND CHLOROACETANILIDE HERBICIDES FOR SERGHUM, RICE AND BARLEY CIBA-GEIGY CORPORATION (US) 1985-08-06 US disclosed
US-4530716-A Plant safening agent CIBA-GEIGY CORPORATION (US) 1985-07-23 US disclosed
EP-0089313-B1 OXIME ETHERS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THE OXIME ETHERS AND THEIR USE CIBA-GEIGY AG (CH) 1985-05-02 EP disclosed
US-4497648-A ANTIDOTES FOR HERBICIDES FOR PLANTS CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
EP-0089313-A1 Oxime ethers, process for their preparation, compositions containing the oxime ethers and their use CIBA-GEIGY AG (CH) 1983-09-21 EP disclosed
US-4097491-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1978-06-27 US disclosed