⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813889 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5179224 | 0.74 | — | — | |
| Fluoride Ion SCHEMBL7532529 | 0.74 | — | — | |
| SCHEMBL27823189 | 0.74 | — | — | |
| SCHEMBL22584 | 0.74 | — | — | |
| SCHEMBL30039896 | 0.74 | — | — | |
| SCHEMBL4651915 | 0.74 | — | — | |
| Bromide SCHEMBL7527133 | 0.74 | — | — | |
| SCHEMBL7050541 | 0.74 | — | — | |
| SCHEMBL8104299 | 0.74 | CYP2D6 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1304319-A2 | Metallocenes and processes therefor and therewith | Phillips Petroleum Company (US) | 2003-04-23 | — | — | EP | disclosed |
| EP-0628566-B1 | Metallocenes and processes therefor and therewith | PHILLIPS PETROLEUM CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5616752-A | CYCLOPENTADIENYL-TYPE SILANE-CONTAINING POLYMERIZATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1997-04-01 | — | — | US | disclosed |
| US-5565592-A | SUPPORTED POLYMERIZATION CATALYSTS FOR OLEFINS COMPRISING ZIRCONIUM OR HAFNIUM AND AN UNSATURATED SILANE ATTACHED TO FLUORENE RINGS | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| US-5466766-A | Metallocenes and processes therefor and therewith | PHILLIPS PETROLEUM COMPANY (US) | 1995-11-14 | — | — | US | disclosed |
| US-5399636-A | Bound to inorganic support, olefin polymerization catalysts | PHILLIPS PETROLEUM COMPANY (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0628566-A1 | Metallocenes and processes therefor and therewith | PHILLIPS PETROLEUM COMPANY (US) | 1994-12-14 | — | — | EP | disclosed |