SCHEMBL647137

SCHEMBL647137

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL10432969 0.91 CTSK (0.39) CTSKALOX15POLB
SCHEMBL873172 0.85
SCHEMBL638075 0.77 MAPT (0.36) ALDH1A1ALOX15POLB
SCHEMBL9502918 0.73
SCHEMBL28915190 0.73
SCHEMBL646534 0.73 MAPT (0.32)
SCHEMBL22139475 0.71
SCHEMBL28776947 0.71 ALDH1A1 (0.45) ALDH1A1
SCHEMBL2691041 0.71
SCHEMBL21726292 0.70 CTSK (0.34) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4745092-A1 METHOD FOR ELECTROCHEMICAL TREATMENT OF CHEMICAL PROCESS WASTEWATER Evonik Operations GmbH (DE) 2026-05-20 EP claimed
US-20250304525-A1 METHOD FOR MANUFACTURE OF ISOPHORONEDIAMINE BASF SE (DE) 2025-10-02 US claimed
WO-2025097556-A1 CATALYST FOR SUPERCRITICAL AMMONIA HYDROGENATION REACTION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 山东新和成维生素有限公司 2025-05-15 WO claimed
WO-2025078248-A1 METHOD FOR MANUFACTURE OF ISOPHORONEDIAMINE BASF SE (DE) 2025-04-17 WO claimed
CN-108929231-B Process for preparing amino compounds from nitrile compounds 赢创运营有限公司 2023-11-17 CN claimed
EP-3901133-B1 METHOD FOR PREPARING ISOPHORONE DIISOCYANATE WANHUA CHEMICAL GROUP CO LTD (CN) 2023-09-13 EP claimed
CN-107663156-B Separation of low-boiling fractions by partial condensation and reduction of the ammonia content of isophoronediamine 赢创运营有限公司 2022-10-04 CN claimed
CN-110876934-B Cobalt catalyst and preparation method and application thereof 万华化学集团股份有限公司 2022-08-02 CN claimed
CN-114762833-A Preparation method and application of coated bifunctional cobalt-containing catalyst 万华化学集团股份有限公司 2022-07-19 CN claimed
CN-109529861-B Skeletal cobalt catalyst and preparation method and application thereof 万华化学集团股份有限公司 2021-07-23 CN claimed
US-5179221-A METHOD FOR PRODUCTION OF 3-CYANO-3,5,5-TRIMETHYL CYCLOHEXANONE NIPPON CHEMICALS CO., LTD. (JP) 1993-01-12 US claimed
EP-0503246-A1 Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine Degussa Aktiengesellschaft (DE) 1992-09-16 EP claimed
EP-0502707-A1 Method for production of 3-cyano-3,5,5-trimethyl cyclohexanone NIPPOH CHEMICALS CO., LTD. (JP) 1992-09-09 EP claimed
US-5142090-A PROCESS FOR THE PREPARATION OF 3-CYANO-3,5,5'-TRIMETHYL-1-CYCLOHEXANONE CAFFARO S.P.A. (IT) 1992-08-25 US claimed
EP-0482347-A2 Bis-(3-cyano-3,5,5-trimethyl-cyclohexylidene)-azine, process for its production and further processing to 3-(aminomethyl)-3,5,5-trimethyl-cyclohexylamine Degussa Aktiengesellschaft (DE) 1992-04-29 EP claimed
EP-0449089-A1 Process for preparing 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine BASF Aktiengesellschaft (DE) 1991-10-02 EP claimed
EP-0433615-A1 Process for the preparation of 1,3,3-trimethyl-5-oxo-cyclohexanecarbonitrile Degussa Aktiengesellschaft (DE) 1991-06-26 EP claimed
EP-0425806-A1 Process for the preparation of 3-cyano-3,5,5'-trimethyl-1-cyclohexanone CAFFARO S.p.A. Società per l'Industria Chimica ed Elettrochimica (IT) 1991-05-08 EP claimed
EP-0028179-B1 PROCESS FOR THE PREPARATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXANONE P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-11-03 EP claimed
US-4299775-A Process for the preparation of 3-cyano-3,5,5-trimethylcyclohexanone PCUK PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1981-11-10 US claimed