SCHEMBL4589747

SCHEMBL4589747

[CH2]C(C)[S+]([O-])CC

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
SCHEMBL5196515 1.00
SCHEMBL21799384 0.77
SCHEMBL776631 0.73
SCHEMBL8700951 0.73
SCHEMBL6707454 0.69
SCHEMBL1935002 0.69
SCHEMBL14752976 0.69
SCHEMBL776547 0.69
SCHEMBL12207182 0.69
SCHEMBL10885837 0.68 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514642-A HERBICIDES FOR PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-05-07 US claimed
US-11993578-B2 Pyrazole-3-carboxylic acid amide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-05-28 US disclosed
US-11964957-B2 Pyrazole derivative and harmful organism-controlling agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-04-23 US disclosed
EP-3808738-B1 PYRAZOLE DERIVATIVE AND HARMFUL ORGANISM-CONTROLLING AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2024-04-17 EP disclosed
CN-110612295-B Pyrazole-3-carboxylic acid amide derivative and pest control agent 组合化学工业株式会社 2023-07-14 CN disclosed
WO-2023112856-A1 FUSED HETEROCYCLIC DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT クミアイ化学工業株式会社 2023-06-22 WO disclosed
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-04-13 US disclosed
EP-3623365-B1 PYRAZOLE-3-CARBOXYLIC ACID AMIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2023-01-04 EP disclosed
EP-4098650-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2022-12-07 EP disclosed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5514642-A HERBICIDES FOR PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed