⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5695995 | 0.76 | — | — | |
| SCHEMBL4652308 | 0.64 | — | — | |
| SCHEMBL1027102 | 0.64 | — | — | |
| SCHEMBL8157414 | 0.64 | — | — | |
| SCHEMBL9142020 | 0.61 | — | — | |
| SCHEMBL7002117 | 0.60 | — | — | |
| SCHEMBL17581052 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL6471596 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL4388246 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL7197118 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6177527-B1 | PRECATALYST COMPRISING A MIXTURE OF RACEMIC AND MESO STEREOISOMERS OF A METALLOCENE CATALYST; COCATALYST SELECTED FROM THE GROUP CONSISTING OF TRIS(PERFLUOROPHENYL)BORANE AND ISOBUTYL ALUMOXANE | UNION CARBIDE CHEMICAL & PLASTICS TECHNOLOGY CORPORATION | 2001-01-23 | — | — | US | disclosed |
| EP-0992517-A2 | A process for the preparation of polyethylene or polypropylene | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-04-12 | — | — | EP | disclosed |