⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8064691 | 1.00 | — | — | |
| SCHEMBL231093 | 1.00 | — | — | |
| SCHEMBL11766136 | 0.95 | TSHR (0.41) | — | |
| SCHEMBL31538292 | 0.95 | ACE2 (0.44) | — | |
| SCHEMBL1409723 | 0.93 | ADH1B (0.47) | — | |
| SCHEMBL22902386 | 0.93 | ADH1B (0.47) | — | |
| SCHEMBL13295924 | 0.91 | ADH1B (0.50) | — | |
| SCHEMBL1067436 | 0.91 | ADH1B (0.50) | — | |
| SCHEMBL14336196 | 0.91 | ADH1B (0.50) | — | |
| SCHEMBL448297 | 0.91 | ADH1B (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773172-A | Method for synthesizing lichen moth sex pheromone and diastereomer thereof | 中国农业大学 | 2021-12-10 | — | — | CN | claimed |
| CN-113773172-A | Method for synthesizing lichen moth sex pheromone and diastereomer thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-113773172-A | Method for synthesizing lichen moth sex pheromone and diastereomer thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |
| US-6093345-A | PYRIMIDINE COMPOUNDS, ELECTROOPTICS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2000-07-25 | — | — | US | disclosed |