⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937025 | 0.74 | HPRT1 (0.41) | — | |
| SCHEMBL7532874 | 0.71 | CYP2A6 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7938656 | 0.66 | — | — | |
| SCHEMBL30307398 | 0.66 | HTR2A (0.36) | — | |
| SCHEMBL1825426 | 0.66 | HTR2A (0.36) | — | |
| SCHEMBL7629651 | 0.65 | HPRT1 (0.45) | — | |
| SCHEMBL20972468 | 0.64 | CYP2A6 (0.33) | — | |
| SCHEMBL20972428 | 0.63 | MAPT (0.35) | — | |
| SCHEMBL20972410 | 0.62 | HTR2A (0.33) | — | |
| SCHEMBL29767610 | 0.62 | HTR2A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1017701-B1 | CYCLOPENTAPHENANTHRENYL TITANIUM COMPLEXES AND POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2003-03-19 | — | — | EP | disclosed |
| US-6150297-A | Cyclopentaphenanthrenyl metal complexes and polymerization process | THE DOW CHEMICAL COMPANY (US) | 2000-11-21 | — | — | US | disclosed |