⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29207177 | 0.70 | — | — | |
| SCHEMBL28672578 | 0.69 | — | — | |
| SCHEMBL28725358 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL28839685 | 0.67 | PLA2G2A (0.31) | — | |
| SCHEMBL29140526 | 0.66 | MCHR1 (0.31) | — | |
| SCHEMBL28444937 | 0.65 | — | — | |
| SCHEMBL28973039 | 0.62 | NPC1 (0.31) | — | |
| SCHEMBL1998705 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL28827037 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL28599192 | 0.59 | ABCC4 (0.41) | — |
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-113831351-B | Novel tetrapyrrole derivatives and application thereof | 上海先辉医药科技有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-113831351-A | Novel tetrapyrrole derivatives and application thereof | 上海先辉医药科技有限公司 | 2021-12-24 | — | — | CN | disclosed |