⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13444596 | 0.78 | — | — | |
| SCHEMBL1796034 | 0.72 | — | — | |
| SCHEMBL10840612 | 0.71 | — | — | |
| SCHEMBL6337632 | 0.71 | — | — | |
| SCHEMBL5403654 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9034924 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4419387 | 0.69 | — | — | |
| SCHEMBL5492034 | 0.67 | — | — | |
| SCHEMBL11148610 | 0.67 | — | — | |
| SCHEMBL12469697 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1275594-C | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 2006-09-20 | — | — | CN | claimed |
| EP-0814792-B1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDRENS HOSP MEDICAL CENTER (US) | 2003-05-28 | — | — | EP | claimed |
| EP-0814792-B1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDRENS HOSP MEDICAL CENTER (US) | 2003-05-28 | — | — | EP | disclosed |