⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6903431 | 0.83 | CYP19A1 (0.31) | — | |
| SCHEMBL6903395 | 0.82 | — | — | |
| SCHEMBL6906800 | 0.81 | — | — | |
| SCHEMBL6906635 | 0.81 | — | — | |
| SCHEMBL6905368 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL17698603 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL6898919 | 0.78 | NPC1 (0.31) | — | |
| SCHEMBL6905451 | 0.78 | — | — | |
| SCHEMBL6904444 | 0.78 | SLC6A2 (0.31) | — | |
| SCHEMBL6905624 | 0.77 | 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 |