⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4986946 | 0.96 | — | — | |
| SCHEMBL4986949 | 0.96 | — | — | |
| SCHEMBL5699943 | 0.93 | — | — | |
| SCHEMBL30718065 | 0.93 | — | — | |
| SCHEMBL6693116 | 0.93 | — | — | |
| SCHEMBL5699939 | 0.93 | — | — | |
| SCHEMBL482331 | 0.74 | — | — | |
| Cyclooctene SCHEMBL4198806 | 0.69 | HDAC3 (0.34) | — | |
| SCHEMBL22253106 | 0.67 | — | — | |
| SCHEMBL18310281 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116419949-A | Value chain regression process for scrap polyamides by hydrogenation | 巴斯夫欧洲公司 | 2023-07-11 | — | — | CN | disclosed |
| CN-116322987-A | Value chain regression method for waste polyurethane by hydrogenation | 巴斯夫欧洲公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-115397797-A | Hydrogenation of L-sorbose | 巴斯夫欧洲公司 | 2022-11-25 | — | — | CN | disclosed |