⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1054328 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7527399 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL10656294 | 0.81 | — | — | |
| Bromide SCHEMBL9435928 | 0.81 | — | — | |
| SCHEMBL11522 | 0.76 | — | — | |
| SCHEMBL18049513 | 0.74 | CA12 (0.50) | — | |
| Hydrochloric Acid SCHEMBL11406144 | 0.74 | — | — | |
| SCHEMBL22755462 | 0.74 | — | — | |
| SCHEMBL11776641 | 0.74 | — | — | |
| SCHEMBL10878067 | 0.74 | — | — |
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 11 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 | disclosed |
| EP-0814792-B1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDRENS HOSP MEDICAL CENTER (US) | 2003-05-28 | — | — | EP | disclosed |
| US-5985917-A | ANTITUMOR AGENTS AND ENZYME INHIBITORS | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-11-16 | — | — | US | disclosed |
| US-5952385-A | Mercapto derivatives as inhibitors of nitric oxide synthase | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-09-14 | — | — | US | disclosed |
| US-5929063-A | SELECTIVELY INHIBITS THE INDUCIBLE ISOFORM TO PREVENT OVER-INHIBITION; FOR DISORDERS WHERE THE ENZYME PLAYS A ROLE, E.G SYSTEMIC HYPOTENSION, SEPTIC SHOCK AND CYTOKINE THERAPY | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-07-27 | — | — | US | disclosed |
| CN-1212620-A | Mercapto derivatives as inhibitors of cyclooxygenases | CHILDRENS HOSP MEDICAL CENTER (US) | 1999-03-31 | — | — | CN | disclosed |
| CN-1181700-A | Mercapto and seleno derivatives as nitric oxide synthase inhibitors | CHILDRENS HOSP MEDICAL CENTER (US) | 1998-05-13 | — | — | CN | disclosed |
| EP-0814792-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1998-01-07 | — | — | EP | disclosed |
| US-5674907-A | Mercapto derivatives as inhibitors of nitric oxide synthase | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-10-07 | — | — | US | disclosed |
| WO-1997032575-A1 | MERCAPTO DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASES | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-09-12 | — | — | WO | disclosed |
| WO-1996030007-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1996-10-03 | — | — | WO | disclosed |