⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31566349 | 0.89 | ACHE (0.33) | — | |
| SCHEMBL301164 | 0.89 | ACHE (0.33) | — | |
| SCHEMBL7290723 | 0.88 | DRD1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3452951 | 0.86 | DRD1 (0.31) | — | |
| SCHEMBL28825736 | 0.78 | MYC (0.35) | — | |
| SCHEMBL301645 | 0.76 | TDP1 (0.46) | — | |
| SCHEMBL29366742 | 0.76 | TDP1 (0.46) | — | |
| SCHEMBL30142870 | 0.76 | TDP1 (0.46) | — | |
| SCHEMBL3395495 | 0.75 | CYP2A6 (0.43) | — | |
| SCHEMBL7783641 | 0.75 | ALDH1A1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647648-B1 | Optically active phosphorus compounds | HOFFMANN LA ROCHE (CH) | 1999-03-10 | — | — | EP | disclosed |
| US-5516944-A | ENANTIOMORPHS WITH PHOSPHINE GROUPS FOR FORMING METAL COMPLEXES | HOFFMANN-LA ROCHE INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5514805-A | ASSYMETRIC HYDROGENATION OF A PYRIDINECARBONYL COMPOUND, RHODIUM PHOSPHINE CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1996-05-07 | — | — | US | disclosed |
| US-5508438-A | Phosphorus compounds | HOFFMANN-LA ROCHE INC. (US) | 1996-04-16 | — | — | US | disclosed |
| EP-0647648-A1 | Optically active phosphorus compounds | F. HOFFMANN-LA ROCHE AG (CH) | 1995-04-12 | — | — | EP | disclosed |