⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6685547 | 0.70 | ACHE (0.30) | — | |
| SCHEMBL6686881 | 0.56 | CYP1A2 (0.30) | — | |
| SCHEMBL8156354 | 0.55 | — | — | |
| SCHEMBL6685552 | 0.55 | USP2 (0.41) | — | |
| SCHEMBL23160893 | 0.52 | — | — | |
| SCHEMBL6250597 | 0.49 | SIGMAR1 (0.38) | — | |
| SCHEMBL4005272 | 0.47 | ALDH1A1 (0.52) | — | |
| SCHEMBL7024215 | 0.46 | — | — | |
| SCHEMBL6617425 | 0.46 | ALDH1A1 (0.64) | — | |
| SCHEMBL8298 | 0.46 | — | — |
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-1035138-A1 | SOLID CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS THEREWITH | MARUZEN PETROCHEMICAL CO., LTD. (JP) | 2000-09-13 | — | — | EP | disclosed |