⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30307597 | 0.70 | — | — | |
| SCHEMBL5674182 | 0.69 | ADORA3 (0.33) | — | |
| SCHEMBL7782980 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL28755973 | 0.69 | — | — | |
| SCHEMBL28846712 | 0.67 | — | — | |
| SCHEMBL20362157 | 0.66 | APEX1 (0.33) | — | |
| SCHEMBL7779341 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL926937 | 0.64 | HTR5A (0.35) | — | |
| SCHEMBL5851114 | 0.64 | ADORA3 (0.35) | — | |
| SCHEMBL29639106 | 0.64 | HTR5A (0.35) | — |
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-108276413-B | A kind of method of simple and efficient synthesis Caulerpin | 暨南大学 | 2019-09-17 | — | — | CN | claimed |
| CN-108276413-B | A kind of method of simple and efficient synthesis Caulerpin | 暨南大学 | 2019-09-17 | — | — | CN | disclosed |