⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5090261 | 0.84 | — | — | |
| SCHEMBL6904658 | 0.81 | NPC1 (0.30) | — | |
| SCHEMBL6897476 | 0.81 | NPC1 (0.30) | — | |
| SCHEMBL6905558 | 0.76 | NPC1 (0.31) | — | |
| SCHEMBL6897221 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL5079283 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL6900538 | 0.72 | — | — | |
| SCHEMBL6902505 | 0.72 | NPC1 (0.32) | — | |
| SCHEMBL6905164 | 0.72 | — | — | |
| SCHEMBL6905624 | 0.71 | NPC1 (0.31) | — |
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-1473323-A1 | Polyethylene composition and process for producing same | Tosoh Corporation (JP) | 2004-11-03 | — | — | EP | disclosed |