⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16706035 | 0.72 | PTPN7 (0.36) | — | |
| SCHEMBL30638851 | 0.70 | — | — | |
| SCHEMBL3117332 | 0.67 | — | — | |
| SCHEMBL828335 | 0.65 | — | — | |
| SCHEMBL5169803 | 0.65 | — | — | |
| SCHEMBL5317426 | 0.65 | — | — | |
| SCHEMBL11930046 | 0.65 | — | — | |
| SCHEMBL336315 | 0.64 | — | — | |
| SCHEMBL12057004 | 0.63 | — | — | |
| SCHEMBL11178002 | 0.63 | — | — |
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-116693389-A | Method for synthesizing tomato leaf miner sex pheromone (3E, 8Z) -3, 8-tetradecadienyl acetate | 新元果业(山东)集团有限公司 | 2023-09-05 | — | — | CN | disclosed |
| US-4487944-A | Acetylenic and allenic carbinols, their utilization as starting materials for the preparation of β-damascenone and process for preparing same | FIRMENICH, SA (CH) | 1984-12-11 | — | — | US | disclosed |