⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10644539 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL11690628 | 0.80 | ALDH1A1 (0.38) | — | |
| Cyclopentane SCHEMBL29058176 | 0.78 | ALDH1A1 (0.32) | — | |
| Propene SCHEMBL7938268 | 0.76 | — | — | |
| SCHEMBL29506631 | 0.70 | — | — | |
| SCHEMBL11113979 | 0.70 | — | — | |
| SCHEMBL273377 | 0.69 | ALDH1A1 (0.36) | — | |
| Propene SCHEMBL878288 | 0.64 | TDP1 (0.31) | — | |
| SCHEMBL433792 | 0.64 | TSHR (0.31) | — | |
| Propene SCHEMBL2080326 | 0.64 | TDP1 (0.61) | — |
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-0498603-B1 | Olefin polymerization and copolymerization process | AMOCO CORP (US) | 1996-12-27 | — | — | EP | disclosed |