⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3967660 | 1.00 | — | — | |
| SCHEMBL263851 | 1.00 | — | — | |
| SCHEMBL259132 | 0.87 | — | — | |
| SCHEMBL259776 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL4464661 | 0.81 | AAK1 (0.32) | — | |
| SCHEMBL263734 | 0.80 | — | — | |
| SCHEMBL263985 | 0.79 | PTGS1 (0.40) | — | |
| SCHEMBL259567 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL260423 | 0.77 | CYP1A2 (0.32) | — | |
| SCHEMBL264059 | 0.77 | CYP1A2 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8134010-B2 | 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease | RENOPHARM LTD. (IL) | 2012-03-13 | — | — | US | disclosed |
| US-7968575-B2 | Nitric oxide donors and uses thereof | RENOPHARM LTD. (IL) | 2011-06-28 | — | — | US | disclosed |
| US-7579477-B2 | Thiazole-based nitric oxide donors having alkyl substituent(s) and uses thereof | RENOPHARM LTD. (IL) | 2009-08-25 | — | — | US | disclosed |
| US-7498445-B2 | Thiazole-based nitric oxide donors capable of releasing two or more nitric oxide molecules and uses thereof | RENOPHARM LTD. (IL) | 2009-03-03 | — | — | US | disclosed |
| US-7368577-B2 | Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof | RENOPHARM LTD. (IL) | 2008-05-06 | — | — | US | disclosed |
| US-7332513-B2 | Thiazole-based nitric oxide donors having acyl substituent(s) and uses thereof | RENOPHARM LTD. (IL) | 2008-02-19 | — | — | US | disclosed |
| US-7189750-B2 | Thiazole-based nitric oxide donors having at least two thiazole moieties and uses thereof | RENOPHARM LTD. (IL) | 2007-03-13 | — | — | US | disclosed |
| US-20070021382-A1 | Nitric oxide donors and uses thereof | RENOPHARM LTD. (IL) | 2007-01-25 | — | — | US | disclosed |