⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6905547 | 0.83 | — | — | |
| SCHEMBL6904389 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL6904331 | 0.81 | — | — | |
| SCHEMBL6904942 | 0.80 | ESR1 (0.32) | — | |
| SCHEMBL6905177 | 0.80 | RXRA (0.31) | — | |
| SCHEMBL5082781 | 0.79 | CYP19A1 (0.31) | — | |
| SCHEMBL6906611 | 0.78 | CYP19A1 (0.30) | — | |
| SCHEMBL6905668 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL6903068 | 0.78 | — | — | |
| SCHEMBL7945474 | 0.78 | ALDH1A1 (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-B1 | Polyethylene composition and process for producing same | TOSOH CORP (JP) | 2016-04-27 | — | — | EP | disclosed |