⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL219662 | 0.76 | — | — | |
| SCHEMBL910693 | 0.75 | — | — | |
| SCHEMBL34967 | 0.73 | — | — | |
| SCHEMBL3000882 | 0.73 | — | — | |
| SCHEMBL19188955 | 0.67 | — | — | |
| SCHEMBL2472561 | 0.67 | — | — | |
| SCHEMBL11233962 | 0.67 | — | — | |
| SCHEMBL6926825 | 0.65 | — | — | |
| SCHEMBL6926827 | 0.65 | — | — | |
| SCHEMBL19346103 | 0.65 | — | — |
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 |