⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7196807 | 0.86 | HTR1B (0.33) | — | |
| SCHEMBL7197682 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL645308 | 0.80 | NQO1 (0.44) | — | |
| SCHEMBL7200884 | 0.79 | KCNA3 (0.31) | — | |
| SCHEMBL7754728 | 0.77 | HTR1B (0.46) | — | |
| SCHEMBL2252116 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL7836892 | 0.73 | HTR1B (0.48) | — | |
| SCHEMBL24119672 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL5542174 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL2257118 | 0.72 | HTR1B (0.51) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6509426-B2 | Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability | JAPAN POLYCHEM CORPORATION (JP) | 2003-01-21 | — | — | US | claimed |
| US-6509426-B2 | Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability | JAPAN POLYCHEM CORPORATION (JP) | 2003-01-21 | — | — | US | disclosed |
| US-20010023296-A1 | Novel transition metal compound, catalyst component for olefin polymerization and process for the preparation of alpha-olefin polymer | JAPAN POLYCHEM CORPORATION (JP) | 2001-09-20 | — | — | US | disclosed |
| US-6218558-B1 | BRIDGED OXYGEN-, NITROGEN- OR SULFUR-CONTAINING METALLOCENE CATALYST CONTAINING AT LEAST CYCLOPENTADIENE RING FUSED TO A C7-10 RING | JAPAN POLYCHEM CORPORATION (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0963996-A2 | Novel transition metal compound, catalyst component for olefin polymerization and process for the preparation of alpha-olefin polymer | Japan Polychem Corporation (JP) | 1999-12-15 | — | — | EP | disclosed |