⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10719025 | 0.73 | ALDH1A1 (0.61) | — | |
| SCHEMBL461605 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL20475963 | 0.69 | — | — | |
| Bromide SCHEMBL19681460 | 0.69 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL10403992 | 0.67 | — | — | |
| SCHEMBL10403990 | 0.67 | — | — | |
| SCHEMBL11444444 | 0.67 | — | — | |
| SCHEMBL6311788 | 0.67 | — | — | |
| SCHEMBL48592 | 0.67 | — | — | |
| SCHEMBL4469860 | 0.67 | — | — |
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-0347840-B1 | Phosphinic acid derivates | BANYU PHARMA CO LTD (JP) | 1995-12-27 | — | — | EP | disclosed |
| US-4988681-A | Dipeptidase inhibitore; reducing renal toxicity; prevention deactivation of (carba)penem antibiotics | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-01-29 | — | — | US | disclosed |
| EP-0347840-A2 | Phosphinic acid derivates | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-12-27 | — | — | EP | disclosed |
| EP-0303172-A2 | Oxyimino-cephalosporins | F. HOFFMANN-LA ROCHE AG (CH) | 1989-02-15 | — | — | EP | disclosed |