⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5078503 | 0.86 | CNR2 (0.30) | — | |
| SCHEMBL6902245 | 0.85 | NPC1 (0.32) | — | |
| SCHEMBL16424312 | 0.85 | RXRA (0.33) | — | |
| SCHEMBL6906115 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL21291830 | 0.84 | RXRA (0.33) | — | |
| SCHEMBL5082802 | 0.83 | — | — | |
| SCHEMBL6904331 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL19469137 | 0.80 | — | — | |
| SCHEMBL6003872 | 0.80 | — | — | |
| SCHEMBL16424438 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1473323-B1 | Polyethylene composition and process for producing same | TOSOH CORP (JP) | 2016-04-27 | — | — | EP | disclosed |
| EP-1473323-A1 | Polyethylene composition and process for producing same | Tosoh Corporation (JP) | 2004-11-03 | — | — | EP | disclosed |