SCHEMBL712923

SCHEMBL712923

CC=CC(C)(C)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
SCHEMBL9657178 1.00
SCHEMBL15681745 1.00
Ammonia Solution, Strong SCHEMBL30933995 0.96
SCHEMBL8481183 0.79 ALDH1A1 (0.33)
SCHEMBL510866 0.79 ALDH1A1 (0.33)
SCHEMBL510865 0.79 ALDH1A1 (0.33)
SCHEMBL28583721 0.77
SCHEMBL5968365 0.76
SCHEMBL5968367 0.76
SCHEMBL29220335 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN claimed
EP-0900200-B9 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2009-10-21 EP claimed
EP-0900200-B1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS TARGACEPT INC (US) 2008-12-03 EP claimed
EP-4633895-A1 PLASTIC SUBSTRATE &amp; METHOD OF REMOVING A MARK OR IMAGE THEREFROM DataLase Ltd. (GB) 2025-10-22 EP disclosed
WO-2024127011-A1 PLASTIC SUBSTRATE &amp; METHOD OF REMOVING A MARK OR IMAGE THEREFROM DATALASE LTD. (GB) 2024-06-20 WO disclosed
CN-117756617-A Method for preparing 6-methyl-5-hepten-2-one by Carroll rearrangement 浙江大学衢州研究院 2024-03-26 CN disclosed
US-11724243-B2 Electrode array device having an adsorbed porous reaction layer CUSTOMARRAY, INC. (US) 2023-08-15 US disclosed
CN-116375602-A Method for photochemically synthesizing benzonitrile by using arylthianthrene salt 河南大学 2023-07-04 CN disclosed
CN-109982989-B Process for producing dienes 维尔萨利斯股份公司 2023-05-12 CN disclosed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN disclosed
US-11498887-B2 Process for producing dienes VERSALIS S.P.A. (IT) 2022-11-15 US disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed
US-5157087-A Organic peroxides and their use in the preparation of epoxide groups-containing (co)polymers AKZO N.V. (NL) 1992-10-20 US disclosed
US-5085685-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0273990-B1 NOVEL ORGANIC PEROXIDES AND THEIR USE IN THE PREPARATION OF EPOXIDE GROUPS CONTAINING (CO)POLYMERS AKZO N.V. (NL) 1991-09-18 EP disclosed
EP-0414058-A2 Carboxylic acid derivatives BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0273990-A1 Novel organic peroxides and their use in the preparation of epoxide groups containing (co)polymers AKZO N.V. (NL) 1988-07-13 EP disclosed
EP-0068564-A1 Process for the preparation of epoxides INTEROX Société Anonyme (BE) 1983-01-05 EP disclosed
US-4070374-A Process for the preparation of aryl substituted aldehydes, ketones and alcohols GIVAUDAN CORPORATION (US) 1978-01-24 US disclosed
US-4000050-A OXIDATION OF SANTALENE HYDROCARBONS IN A CATALYST OF AN ALKALI METAL HYDROXIDE AND ROSE BENGAL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed