⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9237609 | 1.00 | — | — | |
| SCHEMBL2769730 | 1.00 | — | — | |
| SCHEMBL7515146 | 0.78 | — | — | |
| SCHEMBL11804103 | 0.78 | — | — | |
| SCHEMBL7515150 | 0.78 | — | — | |
| SCHEMBL24661206 | 0.77 | — | — | |
| SCHEMBL22875510 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL1846246 | 0.75 | — | — | |
| SCHEMBL2504997 | 0.75 | — | — | |
| SCHEMBL318398 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114933518-B | Synthesis method of ethyl heptenone and application of heteropoly acid catalyst | 山东新和成药业有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-114933518-A | Synthesis method of ethyl heptenone and application of heteropoly acid catalyst | 山东新和成药业有限公司 | 2022-08-23 | — | — | CN | disclosed |
| EP-1967509-B1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2010-04-14 | — | — | EP | disclosed |
| US-7652170-B2 | Method for producing primary amine compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20090287023-A1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-19 | — | — | US | disclosed |
| EP-1967509-A1 | METHOD FOR PRODUCING PRIMARY AMINE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-09-10 | — | — | EP | disclosed |
| US-20080200702-A1 | Novel Intermediates, Process for Their Preparation and Process for the Preparation of Coq10 Employing the Said Novel Intermediates | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2008-08-21 | — | — | US | disclosed |
| US-4169105-A | FROM CYANOACETIC ACID AND AN ALLYLIC HALIDE, ACID ACCEPTOR | SHELL OIL COMPANY (US) | 1979-09-25 | — | — | US | disclosed |
| EP-0001847-A1 | Process for the preparation of alkenyl cyanoacetates | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1979-05-16 | — | — | EP | disclosed |