⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14842937 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL1899759 | 0.83 | ALDH1A1 (0.47) | — | |
| Ethylene SCHEMBL11644945 | 0.78 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL11644957 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL8632835 | 0.77 | — | — | |
| SCHEMBL899789 | 0.75 | — | — | |
| SCHEMBL11060397 | 0.75 | — | — | |
| SCHEMBL9402147 | 0.75 | — | — | |
| SCHEMBL4450142 | 0.73 | — | — | |
| SCHEMBL291687 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009101535-A2 | URETHANE POLYOLS AND THEIR POLYMERS | BAXENDEN CHEMICALS LIMITED (GB) | 2009-08-20 | — | — | WO | disclosed |