SCHEMBL6741825

SCHEMBL6741825

CC1=CC(C)(O)CC(C)=C1

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
Pyridine SCHEMBL11873562 0.85 TDP1 (0.31)
SCHEMBL11870082 0.79 NOTUM (0.44)
SCHEMBL6761757 0.78
SCHEMBL2322583 0.75
SCHEMBL6544738 0.74
SCHEMBL28481786 0.73
SCHEMBL659093 0.71
SCHEMBL2221379 0.71
SCHEMBL171294 0.71
SCHEMBL28574168 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120054632-A G-C based3N4In-situ growth covalent organic framework composite monoatomic platinum photocatalyst, and preparation and application thereof 宁波诺丁汉大学 2025-05-30 CN claimed
CN-118515620-A Preparation method of heterogeneous catalysis 2-trifluoromethyl substituted quinazolinone compound 浙江理工大学 2024-08-20 CN claimed
CN-115260188-B Preparation method of tetrahydro-beta-carboline ketone compound 浙江理工大学 2024-04-02 CN claimed
CN-115286628-B Preparation method of indolo [2,1a ] isoquinoline compound 浙江理工大学 2023-11-17 CN claimed
CN-109400777-A Vanadium complex and its preparation method and application based on acenaphthenequinone diimine ligand 河北师范大学 2019-03-01 CN claimed
CN-105728047-B A kind of hydroformylation catalyst and its preparation method and application 万华化学集团股份有限公司 2017-12-26 CN claimed
CN-103665014-B 6-trimethylphenyl-6H-6-boroheterobenzo[cd]pyrene derivatives and application thereof 昆山维信诺显示技术有限公司 2017-03-22 CN claimed
CN-105728047-A Hydroformylation catalyst as well as preparation method and application thereof 万华化学集团股份有限公司 2016-07-06 CN claimed
CN-120054632-A G-C based3N4In-situ growth covalent organic framework composite monoatomic platinum photocatalyst, and preparation and application thereof 宁波诺丁汉大学 2025-05-30 CN disclosed
CN-118515620-A Preparation method of heterogeneous catalysis 2-trifluoromethyl substituted quinazolinone compound 浙江理工大学 2024-08-20 CN disclosed
CN-115260188-B Preparation method of tetrahydro-beta-carboline ketone compound 浙江理工大学 2024-04-02 CN disclosed
CN-117164555-A Preparation method of indole formamide compound 浙江理工大学 2023-12-05 CN disclosed
CN-115286628-B Preparation method of indolo [2,1a ] isoquinoline compound 浙江理工大学 2023-11-17 CN disclosed
CN-110396116-A Ketone-imidazoline -2- imine ligand [N, O] bidentate nickel, palladium complex and the preparation method and application thereof UNIV NATIONAL DONG HWA 2019-11-01 CN disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed