⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4318601 | 0.80 | — | — | |
| SCHEMBL7551580 | 0.79 | MEN1 (0.40) | — | |
| SCHEMBL7501530 | 0.75 | — | — | |
| SCHEMBL17642141 | 0.75 | — | — | |
| SCHEMBL3079040 | 0.74 | CYP1A2 (0.48) | — | |
| SCHEMBL7062527 | 0.74 | — | — | |
| SCHEMBL30208564 | 0.73 | ALOX15 (0.34) | — | |
| SCHEMBL9772151 | 0.73 | ALOX15 (0.34) | — | |
| SCHEMBL9772150 | 0.73 | ALOX15 (0.34) | — | |
| Hydrochloric Acid SCHEMBL11403921 | 0.72 | MEN1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0814792-B1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDRENS HOSP MEDICAL CENTER (US) | 2003-05-28 | — | — | EP | claimed |
| US-5985917-A | ANTITUMOR AGENTS AND ENZYME INHIBITORS | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1999-11-16 | — | — | US | claimed |
| 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 | claimed |
| EP-0814792-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1998-01-07 | — | — | EP | claimed |
| WO-1996030007-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1996-10-03 | — | — | WO | claimed |
| 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-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 |
| EP-0814792-A1 | MERCAPTO AND SELENO DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1997045108-A1 | GUANIDINO DERIVATIVES AS INHIBITORS OF THE CYTOTOXIC EFFECT OF PEROXYNITRITE | CHILDREN'S HOSPITAL MEDICAL CENTER (US) | 1997-12-04 | — | — | 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 |