SCHEMBL456800

SCHEMBL456800

Cc1ccc[c]c1Br

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
SCHEMBL15638350 0.80 ALDH1A1 (0.39)
SCHEMBL8129071 0.72 KEAP1 (0.40)
SCHEMBL2972 0.72
SCHEMBL5584043 0.72 LMNA (0.31)
SCHEMBL59224 0.72
SCHEMBL2884608 0.72 ACHE (0.42)
SCHEMBL7818368 0.69 RAB9A (0.38)
SCHEMBL10927467 0.69 CA2 (0.39)
SCHEMBL2972382 0.69 MAPT (0.38)
SCHEMBL2972829 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN claimed
CN-114213353-A Aryl-oxazole-oxazoline compound and preparation method and application thereof 贵州大学 2022-03-22 CN claimed
CN-102746297-B Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-08-26 CN claimed
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP claimed
CN-102459166-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-03-25 CN claimed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO claimed
US-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US claimed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US claimed
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 WO claimed
WO-2006114402-A1 SUBSTITUTED OCTAHYDROISOINDOLES AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) BIOVITRUM AB (PUBL) (SE) 2006-11-02 WO claimed
US-5700831-A INSECTICIDE, NEMATOCIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-23 US claimed
WO-1997033862-A1 PESTICIDAL HYDRAZIDE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-09-18 WO claimed
EP-0492839-B1 Selective acylation of hydrazines ROHM & HAAS (US) 1995-04-12 EP claimed
EP-0492839-A1 Selective acylation of hydrazines ROHM AND HAAS COMPANY (US) 1992-07-01 EP claimed
US-4551464-A AND SULFIMINO CARBOSTYRILS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 US claimed
EP-0071150-B1 SULFIMINES, THEIR SALTS AND THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-07-03 EP claimed
US-4442111-A Antithrombotic sulfimino and sulfoximino indolinones-2 DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-04-10 US claimed
EP-0071150-A1 Sulfimines, their salts and their preparation, and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-02-09 EP claimed
CN-116891466-A Pyrazole-containing dithiazole carboxamide derivative and preparation method and application thereof 南开大学 2023-10-17 CN disclosed
US-3960873-A 1-Phenylthiopropyl-4-hydroxy-4-phenyl piperidines SUMITOMO CHEMICAL CO., LTD. (JA) 1976-06-01 US disclosed