⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9726093 | 0.97 | — | — | |
| SCHEMBL329247 | 0.71 | — | — | |
| Water SCHEMBL4367432 | 0.69 | — | — | |
| SCHEMBL3675398 | 0.67 | — | — | |
| SCHEMBL29213684 | 0.67 | — | — | |
| SCHEMBL4357454 | 0.63 | — | — | |
| SCHEMBL28119097 | 0.63 | — | — | |
| SCHEMBL12852218 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL7476353 | 0.61 | — | — | |
| SCHEMBL12713880 | 0.59 | — | — |
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-108690217-B | Carbon fiber recycling composition and method | 波音公司 | 2022-07-15 | — | — | CN | claimed |
| CN-108690217-B | Carbon fiber recycling composition and method | 波音公司 | 2022-07-15 | — | — | CN | disclosed |
| WO-2000037400-A1 | HALOGENATION IN IONIC LIQUIDS | INEOS CHLOR LIMITED (GB) | 2000-06-29 | — | — | WO | disclosed |