⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28990026 | 0.78 | GABRA1 (0.41) | — | |
| SCHEMBL28394865 | 0.70 | GABRA1 (0.46) | — | |
| SCHEMBL9241814 | 0.63 | GABRA1 (0.46) | — | |
| SCHEMBL948938 | 0.59 | GABRA1 (0.44) | — | |
| SCHEMBL29819385 | 0.57 | GABRA1 (0.43) | — | |
| SCHEMBL30403445 | 0.55 | CYP3A4 (0.44) | — | |
| SCHEMBL28357573 | 0.55 | CYP3A4 (0.44) | — | |
| SCHEMBL28990025 | 0.54 | GABRA1 (0.43) | — | |
| SCHEMBL7942262 | 0.54 | CYP3A4 (0.40) | — | |
| SCHEMBL852266 | 0.53 | GABRA1 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110724165-B | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-110724165-A | Hexahydrotriazine compound with thermal oxidation resistance and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-01-24 | — | — | CN | disclosed |