⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL642457 | 1.00 | — | — | |
| SCHEMBL12955160 | 1.00 | — | — | |
| Water SCHEMBL21879757 | 0.95 | — | — | |
| SCHEMBL13416385 | 0.82 | — | — | |
| SCHEMBL4762655 | 0.82 | — | — | |
| SCHEMBL7940515 | 0.82 | — | — | |
| Bicarbonate SCHEMBL21879702 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL8002865 | 0.79 | — | — | |
| SCHEMBL23762378 | 0.76 | — | — | |
| SCHEMBL21737104 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1394168-B1 | Process for the preparation of phosphites and complexes with transition metals | SALTIGO GMBH (DE) | 2008-05-21 | — | — | EP | disclosed |
| US-6992201-B2 | Process for preparing phosphites and transition metal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2006-01-31 | — | — | US | disclosed |
| US-20040116726-A1 | Process for preparing phosphites and transition metal complexes | LANXESS DEUTSCHLAND GMBH (DE) | 2004-06-17 | — | — | US | disclosed |
| EP-1394168-A1 | Process for the preparation of phosphites and complexes with transition metals | Bayer Chemicals AG (DE) | 2004-03-03 | — | — | EP | disclosed |