⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1506053 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL625298 | 0.77 | — | — | |
| SCHEMBL14289025 | 0.75 | — | — | |
| SCHEMBL7996738 | 0.75 | — | — | |
| Allylthiourea SCHEMBL1194236 | 0.74 | — | — | |
| Allylthiourea SCHEMBL4796890 | 0.72 | — | — | |
| Allylthiourea SCHEMBL11884540 | 0.72 | — | — | |
| SCHEMBL245633 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL6589055 | 0.70 | — | — | |
| SCHEMBL9706909 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070224671-A1 | Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions | BIO HOLDING, INC. | 2007-09-27 | — | — | US | disclosed |
| US-20040220239-A1 | Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions | BIO HOLDING, INC. | 2004-11-04 | — | — | US | disclosed |
| US-20040220242-A1 | Inhibitors of serine protease activity, methods and compositions for treatment of nitric oxide induced clinical conditions | BIO HOLDING, INC. | 2004-11-04 | — | — | US | disclosed |
| US-20040220113-A1 | Inhibitors of serine protease activity methods and compositions for treatment of nitric oxide-induced clinical conditions | BIO HOLDING, INC. | 2004-11-04 | — | — | US | disclosed |
| US-6489308-B1 | ONE AGENT EXHIBITING MAMMALIAN ALPHA 1-ANTITRYPSIN OR ALPHA 1-ANTITRYPSIN-LIKE ACTIVITY, AND A FREE RADICAL SCAVENGER SUCH AS 2,6,8-TRIHYDROXYPURINE, DIHYDRORHODAMINE, OR A COMBINATION THEREOF | TRUSTEES OF UNIVERSITY OF TECHNOLOGY CORPORATION | 2002-12-03 | — | — | US | disclosed |