⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8466500 | 0.85 | — | — | |
| SCHEMBL8185624 | 0.83 | — | — | |
| SCHEMBL241718 | 0.80 | — | — | |
| SCHEMBL23628544 | 0.78 | — | — | |
| SCHEMBL1438735 | 0.78 | — | — | |
| SCHEMBL1639456 | 0.73 | — | — | |
| SCHEMBL8477453 | 0.69 | — | — | |
| SCHEMBL8476468 | 0.69 | — | — | |
| SCHEMBL8478002 | 0.69 | — | — | |
| SCHEMBL8466468 | 0.68 | — | — |
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-5608054-A | TRANSITION METAL COMPLEXES; CATALYSTS FOR OXIDATION OF ALKANES AND DECOMPOSITION OF HYDROPEROXIDES | SUN COMPANY, INC. (R&M) (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0735037-A1 | Porphyrins and metal complexes thereof having haloalkyl side chains, their preparation and use as catalysts in chemical reactions | SUN COMPANY, INC. (R&M) (US) | 1996-10-02 | — | — | EP | disclosed |