⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28715735 | 0.69 | — | — | |
| SCHEMBL452643 | 0.67 | — | — | |
| SCHEMBL29005408 | 0.67 | DAO (0.32) | — | |
| SCHEMBL29184288 | 0.66 | — | — | |
| SCHEMBL29249153 | 0.65 | — | — | |
| SCHEMBL28175424 | 0.64 | PNP (0.35) | — | |
| SCHEMBL29249152 | 0.63 | — | — | |
| SCHEMBL19153111 | 0.51 | ADORA1 (0.41) | — | |
| Pterine SCHEMBL702492 | 0.49 | ALDH1A1 (0.40) | — | |
| Pterine SCHEMBL906055 | 0.49 | ALDH1A1 (0.40) | — |
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-105985401-B | Tripterine derivative, preparation method and application thereof | 上海华拓医药科技发展有限公司 | 2020-10-09 | — | — | CN | disclosed |
| CN-105985401-A | Tripterine derivative, and preparation method and use thereof | 上海华拓医药科技发展有限公司 | 2016-10-05 | — | — | CN | disclosed |