⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624256 | 0.77 | — | — | |
| SCHEMBL18786289 | 0.77 | — | — | |
| SCHEMBL31416552 | 0.74 | — | — | |
| SCHEMBL20215869 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL15546967 | 0.72 | — | — | |
| SCHEMBL15546968 | 0.72 | — | — | |
| SCHEMBL471931 | 0.72 | — | — | |
| SCHEMBL5175408 | 0.70 | HTT (0.35) | — | |
| Hydrochloric Acid SCHEMBL9329751 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL5797856 | 0.69 | — | — |
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-113024466-A | Tetra-substituted olefin compound and use thereof | 卫材 R&D 管理有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-107847498-B | Tetra-substituted olefin compound and use thereof | 卫材R&D管理有限公司 | 2021-04-13 | — | — | CN | disclosed |