SCHEMBL4149586

SCHEMBL4149586

CCNCC(C)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
Hydrochloric Acid SCHEMBL7781714 0.97
Butane SCHEMBL28139255 0.88 TSHR (0.40)
SCHEMBL14612167 0.87 TSHR (0.38)
SCHEMBL12533456 0.87 TP53 (0.47)
SCHEMBL276134 0.87 TSHR (0.38)
SCHEMBL22505760 0.86 TP53 (0.35)
SCHEMBL18869460 0.86 TP53 (0.35)
SCHEMBL12574999 0.84 TSHR (0.36)
SCHEMBL11508620 0.81 TP53 (0.41)
SCHEMBL4915543 0.81 TSHR (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 275 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140700-A1 BENZOTHIAZOLE COMPOUND, AND SYNTHESIS THEREFOR AND USE THEREOF 西北农林科技大学 2024-07-04 WO disclosed
US-12018267-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-06-25 US disclosed
US-11992012-B2 Diaminotriazine compounds BASF SE (DE) 2024-05-28 US disclosed
EP-4370505-A1 HERBICIDAL PHENYLURACILS BASF SE (DE) 2024-05-22 EP disclosed
US-11965171-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-04-23 US disclosed
CN-117897378-A Plants with increased tolerance to herbicides 巴斯夫农业种子解决方案美国有限责任公司 2024-04-16 CN disclosed
US-11939587-B2 Plants having increased tolerance to herbicides BASF SE (DE) 2024-03-26 US disclosed
CN-117751102-A Herbicidal phenyluracils 巴斯夫欧洲公司 2024-03-22 CN disclosed
WO-2024038378-A1 SUBSTITUTED PYRIDINONE COMPOUNDS AS CBL-B INHIBITORS GLENMARK PHARMACEUTICALS LTD (IN) 2024-02-22 WO disclosed
CN-117143092-A Benzothiazole compound and synthesis and application thereof 西北农林科技大学 2023-12-01 CN disclosed
US-20130011673-A1 MOISTURE-CURABLE SILOXANES AND SILOXANE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2013-01-10 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090054697-A1 METHOD FOR PRODUCING UNSATURATED ETHER COMPOUND KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed
EP-1876163-A1 METHOD FOR PRODUCING UNSATURATED ETHER COMPOUND Kyowa Hakko Chemical Co., Ltd. (JP) 2008-01-09 EP disclosed
US-6559343-B1 Reacting cyclobutane-1,3-dione with silylation agent in presence of base; acetylation in presence of Lewis acid catalyst; cyclization BASF AKTIENGESELLSCHAFT (DE) 2003-05-06 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed