⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20767771 | 0.89 | — | — | |
| SCHEMBL9336086 | 0.74 | — | — | |
| SCHEMBL9719768 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL11041556 | 0.72 | RAB9A (0.31) | — | |
| SCHEMBL6549138 | 0.72 | — | — | |
| SCHEMBL20613566 | 0.72 | — | — | |
| SCHEMBL17965733 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL22689620 | 0.70 | RAB9A (0.35) | — | |
| SCHEMBL17965749 | 0.70 | PTPN7 (0.46) | — | |
| SCHEMBL21294357 | 0.70 | PTPN7 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0282940-A2 | A method for the preparation of a gamma-substituted (E)-2-alken-1-AL | Shin-Etsu Chemical Co., Ltd. (JP) | 1988-09-21 | — | — | EP | disclosed |