⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9720090 | 0.69 | — | — | |
| SCHEMBL28318472 | 0.67 | — | — | |
| SCHEMBL29211188 | 0.64 | — | — | |
| SCHEMBL722045 | 0.64 | — | — | |
| SCHEMBL28442131 | 0.62 | — | — | |
| SCHEMBL28543274 | 0.61 | PTGS1 (0.31) | — | |
| SCHEMBL7517479 | 0.60 | — | — | |
| SCHEMBL29860311 | 0.60 | — | — | |
| SCHEMBL7526786 | 0.57 | — | — | |
| SCHEMBL27558454 | 0.57 | G6PD (0.30) | — |
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-110325849-B | Sensor device and method | 新西兰植物与食品研究所 | 2022-11-18 | — | — | CN | disclosed |
| CN-110325849-A | Sensor device and method | 新西兰植物与食品研究所 | 2019-10-11 | — | — | CN | disclosed |