⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8594744 | 1.00 | — | — | |
| Acetic Acid SCHEMBL8009674 | 0.76 | CA1 (0.40) | — | |
| Acetic Acid SCHEMBL8010204 | 0.76 | CA1 (0.40) | — | |
| Acetic Acid SCHEMBL8571913 | 0.76 | CA1 (0.40) | — | |
| SCHEMBL386280 | 0.68 | TSHR (0.44) | — | |
| SCHEMBL8000848 | 0.66 | TSHR (0.41) | — | |
| Phosphine SCHEMBL5568847 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL8010115 | 0.66 | TSHR (0.41) | — | |
| Hypophosphorous Acid SCHEMBL8824894 | 0.62 | TSHR (0.33) | — | |
| Phosphoric Acid SCHEMBL8824878 | 0.62 | LAP3 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0816308-A1 | Complexes containing tris(hydroxyalkyl)phosphines for telomerisations ans as catalysts | BAYER AG (DE) | 1998-01-07 | — | — | EP | disclosed |