⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4651788 | 0.67 | MAOA (0.30) | — | |
| SCHEMBL9403917 | 0.65 | — | — | |
| SCHEMBL9403921 | 0.65 | — | — | |
| SCHEMBL302732 | 0.65 | — | — | |
| SCHEMBL30414673 | 0.62 | — | — | |
| SCHEMBL1303367 | 0.61 | KDM4E (0.31) | — | |
| Acetonitrile SCHEMBL10379218 | 0.61 | — | — | |
| SCHEMBL2518530 | 0.59 | — | — | |
| SCHEMBL21335065 | 0.57 | DAO (0.31) | — | |
| SCHEMBL5634790 | 0.52 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024156201-A1 | BICYCLONE COMPOUND AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR BICYCLO[3.2.1]-3-OCTANE-2,4-DIONE | 山东潍坊润丰化工股份有限公司 | 2024-08-02 | — | — | WO | disclosed |
| CN-116041167-B | Bicyclic ketone compound and preparation method thereof, and preparation method of bicyclo [3.2.1] -3-octane-2, 4-dione | 山东潍坊润丰化工股份有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-116041167-A | Bicyclic ketone compound and preparation method thereof, and preparation method of bicyclo [3.2.1] -3-octane-2, 4-dione | 山东潍坊润丰化工股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| US-6815563-B2 | RING EXPANSION OF 2-NORBORNENE WITH CHLOROFORM, HYDROLYSIS, OXIDATION, REACTING WITH A NUCLEOPHILIC COMPOUND, HYDROLYZING TO KETALIZATION; A CHEMICAL INTERMEDIATES FOR HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-09 | — | — | US | disclosed |
| US-20030187290-A1 | Method for producing bicyclic 1,3-diketones | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-02 | — | — | US | disclosed |
| EP-1296920-A2 | METHOD FOR PRODUCING BICYCLIC 1,3-DIKETONES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002006197-A2 | METHOD FOR PRODUCING BICYCLIC 1,3-DIKETONES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | disclosed |