⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16131009 | 0.82 | ALDH1A1 (0.57) | — | |
| SCHEMBL261295 | 0.82 | — | — | |
| SCHEMBL27843736 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL9574632 | 0.80 | GABRP (0.41) | — | |
| Adipic Acid SCHEMBL27174192 | 0.79 | AKR1B1 (0.56) | — | |
| SCHEMBL11143590 | 0.78 | — | — | |
| SCHEMBL2992341 | 0.78 | — | — | |
| SCHEMBL8400581 | 0.78 | GABRP (0.39) | — | |
| SCHEMBL8096461 | 0.76 | FFAR3 (0.40) | — | |
| SCHEMBL261411 | 0.76 | FFAR3 (0.40) | — |
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-7629368-B2 | Nitroderivatives as drugs for diseases having an inflammatory basis | NICOX S.A. (FR) | 2009-12-08 | — | — | US | disclosed |
| US-20090075952-A1 | NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS | NICOX S.A. | 2009-03-19 | — | — | US | disclosed |
| US-7465803-B2 | Nitroderivatives as drugs for diseases having an inflammatory basis | NICOX S.A. (FR) | 2008-12-16 | — | — | US | disclosed |
| US-20080194651-A1 | NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS | NICOX S.A. | 2008-08-14 | — | — | US | disclosed |
| EP-1339665-B1 | NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS | NICOX SA (FR) | 2007-12-19 | — | — | EP | disclosed |
| US-20040023933-A1 | Nitroderivatives as drugs for diseases having an inflammatory basis | NICOX S.A. (FR) | 2004-02-05 | — | — | US | disclosed |
| EP-1339665-A1 | NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS | Nicox S.A. (FR) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002030866-A1 | NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS | NICOX S.A. (FR) | 2002-04-18 | — | — | WO | disclosed |