⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11618156 | 0.76 | — | — | |
| SCHEMBL9001228 | 0.73 | — | — | |
| SCHEMBL5685034 | 0.71 | — | — | |
| SCHEMBL11668544 | 0.65 | — | — | |
| SCHEMBL5710208 | 0.65 | — | — | |
| SCHEMBL9336430 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL123127 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL8079189 | 0.60 | — | — | |
| SCHEMBL8140453 | 0.60 | MAOA (0.43) | — | |
| SCHEMBL2322583 | 0.60 | — | — |
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 366 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116621682-B | Preparation method of 4-oxo-isophorone | 山东新和成精化科技有限公司 | 2025-06-24 | — | — | CN | claimed |
| CN-116514643-B | Production method and production system of beta-isophorone | 山东新和成维生素有限公司 | 2025-02-28 | — | — | CN | claimed |
| CN-119529239-A | Isophorone diamine composition, preparation method thereof and epoxy resin composition | 万华化学集团股份有限公司 | 2025-02-28 | — | — | CN | claimed |
| CN-118684566-B | Method for preparing beta-isophorone | 山东富宇石化有限公司 | 2024-10-29 | — | — | CN | claimed |
| CN-115677461-B | Method for continuously producing 4-oxo-isophorone by using tower reactor | 万华化学集团股份有限公司 | 2024-10-18 | — | — | CN | claimed |
| CN-118684566-A | Method for preparing beta-isophorone | 山东富宇石化有限公司 | 2024-09-24 | — | — | CN | claimed |
| CN-118320730-B | Reaction device and method for synthesizing tea-flavored ketone | 山东富宇石化有限公司 | 2024-08-30 | — | — | CN | claimed |
| CN-118320730-A | Reaction device and method for synthesizing tea-flavored ketone | 山东富宇石化有限公司 | 2024-07-12 | — | — | CN | claimed |
| CN-117820092-A | Method for preparing 4-oxo-isophorone from beta-isophorone | 万华化学集团股份有限公司 | 2024-04-05 | — | — | CN | claimed |
| CN-117603031-A | Preparation method of beta-isophorone | 万华化学集团股份有限公司 | 2024-02-27 | — | — | CN | claimed |
| EP-0832871-A1 | Process for the preparation of beta-isophoron by isomerisation of alpha-isophoron (I) | Degussa Aktiengesellschaft (DE) | 1998-04-01 | — | — | EP | claimed |
| EP-0832870-A1 | Process for the preparation of 3,5,5-trimethylcyclohex-3-ene-1-one (beta-isophoron) by isomerisation of 3,5,5-trimethylcyclohex-2-ene-1-one (alpha-isophoron) | Degussa Aktiengesellschaft (DE) | 1998-04-01 | — | — | EP | claimed |
| EP-0808816-A1 | Process for the preparation of ketoisophorone | DEGUSSA AG (DE) | 1997-11-26 | — | — | EP | claimed |
| EP-0558799-A2 | Catalyst and process for the production of 3-cyano-3,5,5-trialkylcyclohexanone | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-09-08 | — | — | EP | claimed |
| EP-0311408-B1 | PROCESS FOR PREPARING 3,5,5-TRIMETHYLCYCLOHEXA-2-EN-1,4-DIONE | SODA AROMATIC COMPANY, LIMITED (JP) | 1993-03-31 | — | — | EP | claimed |
| US-5183915-A | Reacting with hydrocyanide in presence of quaternary ammonium or phosphonium cyanide in absence of water | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1993-02-02 | — | — | US | claimed |
| US-4898985-A | OXIDIZING IN PRESENCE OF PORPHYRIN OR PHTHALOCYANINE COMPLEX | SODA AROMATIC COMPANY, LIMITED (JP) | 1990-02-06 | — | — | US | claimed |
| EP-0311408-A2 | Process for preparing 3,5,5-trimethylcyclohexa-2-en-1,4-dione | SODA AROMATIC COMPANY, LIMITED (JP) | 1989-04-12 | — | — | EP | claimed |
| US-4026948-A | OXIDATION CATALYST; ACETATE OR ACETYLACETONATE OF A TRANSITION METAL | FIRMENICH S.A. (CH) | 1977-05-31 | — | — | US | claimed |
| US-4010205-A | 2,2,6-TRIMETHYLCYCLOHEX-5-ENE-1,4-DIONE BY OXIDIZING 3,3,5-TRIMETHYLCYCLOHEX-4-EN-1-ONE | FIRMENICH S.A. (CH) | 1977-03-01 | — | — | US | claimed |