⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27990993 | 0.64 | — | — | |
| SCHEMBL17017140 | 0.63 | — | — | |
| SCHEMBL29085465 | 0.61 | — | — | |
| SCHEMBL28931351 | 0.58 | — | — | |
| SCHEMBL30154499 | 0.56 | TDP1 (0.30) | — | |
| SCHEMBL9293 | 0.56 | — | — | |
| Cyclopentane SCHEMBL11787886 | 0.55 | ADH1B (0.32) | — | |
| SCHEMBL28244388 | 0.55 | ADH1B (0.32) | — | |
| Cyclopropane SCHEMBL11789277 | 0.55 | — | — | |
| Cyclooctane SCHEMBL11798106 | 0.55 | ADH1B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0116200-B1 | POLYPHENYLENE ETHER RESIN COMPOSITIONS | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1987-07-08 | — | — | EP | disclosed |
| US-4584331-A | CONTAINING BICYCLOPHOSPHORIC ESTER COMPOUND | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1986-04-22 | — | — | US | disclosed |
| EP-0116200-A1 | Polyphenylene ether resin compositions | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1984-08-22 | — | — | EP | disclosed |