⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14936804 | 0.70 | CA12 (0.38) | — | |
| SCHEMBL8828020 | 0.69 | — | — | |
| SCHEMBL15474310 | 0.69 | — | — | |
| SCHEMBL15318976 | 0.67 | — | — | |
| SCHEMBL16424639 | 0.65 | — | — | |
| SCHEMBL11150554 | 0.64 | — | — | |
| SCHEMBL2099805 | 0.64 | — | — | |
| SCHEMBL25175173 | 0.58 | — | — | |
| SCHEMBL98451 | 0.58 | — | — | |
| Trimethylammonium SCHEMBL5887466 | 0.55 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0495375-B1 | Process for preparing addition polymerization catalysts via metal center oxidation | DOW CHEMICAL CO (US) | 1997-02-26 | — | — | EP | disclosed |
| US-5189192-A | Coordination catalysts | THE DOW CHEMICAL COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0495375-A2 | Process for preparing addition polymerization catalysts via metal center oxidation | THE DOW CHEMICAL COMPANY (US) | 1992-07-22 | — | — | EP | disclosed |