⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180719 | 0.78 | — | — | |
| Ethylene SCHEMBL28834218 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL9000080 | 0.74 | — | — | |
| SCHEMBL9000079 | 0.74 | — | — | |
| Propene SCHEMBL4430573 | 0.69 | HSD17B10 (0.34) | — | |
| SCHEMBL8468232 | 0.68 | — | — | |
| Allyl Alcohol SCHEMBL28018585 | 0.68 | TSHR (0.45) | — | |
| Propene SCHEMBL28389911 | 0.67 | HSD17B10 (0.33) | — | |
| SCHEMBL1246471 | 0.67 | KDM4E (0.36) | — | |
| Butadiene SCHEMBL28385656 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5910464-A | A COORDINATION CATALYST COMPRISING A TITANIUM, ZIRCONIUM OR HAFNIUM MONO- OR BISCYCLOPENTADIENYL COMPOUND AND A REACTION PRODUCT OF AN ALKYL ALUMINIUM AND WATER | MONTELL TECHNOLOGY COMPANY BV (NL) | 1999-06-08 | — | — | US | disclosed |