⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164413 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8155276 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8534614 | 0.59 | — | — | |
| SCHEMBL8156860 | 0.58 | — | — | |
| SCHEMBL8151779 | 0.56 | — | — | |
| SCHEMBL8164404 | 0.56 | — | — | |
| SCHEMBL4246204 | 0.56 | CYP3A4 (0.35) | — | |
| SCHEMBL6423318 | 0.53 | CYP3A4 (0.32) | — | |
| SCHEMBL4249583 | 0.51 | — | — | |
| SCHEMBL3005730 | 0.50 | CYP3A4 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0902793-B1 | MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME | EQUISTAR CHEM LP (US) | 2002-08-28 | — | — | EP | disclosed |
| US-6121183-A | A POLYOLEFIN POLYMERIZATION CATALYST CONSISTS OF A MODIFIED POLYSILOXANE SUPPORT, TRANSITION OR LANTHANIDE METAL AND A MONANIONIC AROMATIC LIGAND THAT IS PIE BONDED TO THE METAL AND COVALENTLY BOUND TO SILICON ATOM OF POLYSILOXANE SUPPORT | EQUISTAR CHEMICALS, L.P. (US) | 2000-09-19 | — | — | US | disclosed |
| EP-0902793-A1 | MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME | Lyondell Petrochemical Company (US) | 1999-03-24 | — | — | EP | disclosed |
| WO-1997045459-A1 | MODIFIED POLYSILOXANE CATALYSTS AND A METHOD OF USING THE SAME | LYONDELL PETROCHEMICAL COMPANY (US) | 1997-12-04 | — | — | WO | disclosed |