SCHEMBL1019089

SCHEMBL1019089

Br[C]1C=CC=CN1

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
SCHEMBL18691332 0.67
SCHEMBL2067838 0.63
SCHEMBL9491527 0.63
SCHEMBL736129 0.62
SCHEMBL158403 0.62
SCHEMBL212558 0.62
SCHEMBL7052431 0.62
Ethylene SCHEMBL28529003 0.62
SCHEMBL8762693 0.61
SCHEMBL11412829 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677668-B Anserine derivative, and preparation method and application thereof 东南大学 2023-12-05 CN claimed
CN-115677668-A Anserine derivative and preparation method and application thereof 东南大学 2023-02-03 CN claimed
CN-111072531-B Synthesis method of beta-ketosulfone compound 江南大学 2021-09-24 CN claimed
CN-111072531-A Synthesis method of β -ketosulfone compound 江南大学 2020-04-28 CN claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
CN-115677668-B Anserine derivative, and preparation method and application thereof 东南大学 2023-12-05 CN disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
CN-115677668-A Anserine derivative and preparation method and application thereof 东南大学 2023-02-03 CN disclosed
CN-111072531-B Synthesis method of beta-ketosulfone compound 江南大学 2021-09-24 CN disclosed
CN-111072531-A Synthesis method of β -ketosulfone compound 江南大学 2020-04-28 CN disclosed
US-9593095-B2 Methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-03-14 US disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 WO disclosed
EP-0536310-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1993-04-14 EP disclosed
EP-0536310-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1993-02-05 EP disclosed
WO-1992000279-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-01-09 WO disclosed
US-4996214-A Respiratory systyem disorders SMITHKLINE BEECHAM CORPORATION (US) 1991-02-26 US disclosed