⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5715828 | 0.83 | — | — | |
| SCHEMBL5716523 | 0.80 | DNM1 (0.35) | — | |
| SCHEMBL5715620 | 0.80 | TAS1R3 (0.33) | — | |
| SCHEMBL5716321 | 0.80 | TAS1R3 (0.33) | — | |
| SCHEMBL5716472 | 0.78 | TAS1R3 (0.34) | — | |
| SCHEMBL5715782 | 0.78 | TAS1R3 (0.35) | — | |
| SCHEMBL5716344 | 0.77 | DNM1 (0.33) | — | |
| SCHEMBL5716147 | 0.77 | DNM1 (0.33) | — | |
| SCHEMBL6792676 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5716374 | 0.76 | ALDH1A1 (0.35) | — |
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-1661900-A1 | Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them | ExxonMobil Chemical Patents Inc. (US) | 2006-05-31 | — | — | EP | disclosed |