SCHEMBL810535

SCHEMBL810535

CC(C)C(=O)CC=O

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
SCHEMBL3921820 0.78
SCHEMBL30685394 0.76
SCHEMBL2589271 0.76 TP53 (0.35)
SCHEMBL16995241 0.74
SCHEMBL2143209 0.74
SCHEMBL28649010 0.72 ALOX15 (0.35)
SCHEMBL9326262 0.72
SCHEMBL2619499 0.72
SCHEMBL3628993 0.72
SCHEMBL11026750 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220151892-A1 A HAIR STRAIGHTENING OR HAIR STYLING COMPOSITION AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-05-19 US claimed
EP-3937886-A1 A HAIR STRAIGHTENING OR HAIR STYLING COMPOSITION AND METHOD OF USE THEREOF ISP Investments LLC (US) 2022-01-19 EP claimed
CN-113573686-A A composition for straightening or styling hair and its application method 埃斯普投资有限公司 2021-10-29 CN claimed
WO-2020190837-A1 A HAIR STRAIGHTENING OR HAIR STYLING COMPOSITION AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2020-09-24 WO claimed
JP-8217715-A None JP disclosed
CN-113573686-B A composition for straightening or styling hair and method of use thereof 埃斯普投资有限公司 2024-10-22 CN disclosed
WO-2023184508-A1 CARBON/BERLIN BLUE-LIKE COMPOSITE MATERIAL AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳先进技术研究院 2023-10-05 WO disclosed
US-11639415-B2 BPA-free coatings BATTELLE MEMORIAL INSTITUTE (US) 2023-05-02 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-115023431-A Triterpenoids, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by group 4 members of the nuclear receptor subfamily 藤济(厦门)生物医药科技有限公司 2022-09-06 CN disclosed
CN-114940673-A Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer 卡佩拉医疗公司 2022-08-26 CN disclosed
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US disclosed
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed