⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2804611 | 0.84 | — | — | |
| SCHEMBL30185 | 0.71 | — | — | |
| SCHEMBL27702 | 0.71 | — | — | |
| SCHEMBL27833417 | 0.71 | KMT2A (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL15742962 | 0.69 | — | — | |
| SCHEMBL27847356 | 0.69 | — | — | |
| SCHEMBL15841781 | 0.69 | — | — | |
| SCHEMBL170804 | 0.68 | — | — | |
| SCHEMBL1576596 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27551349 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111699023-A | Mitochondrial targeting, MPTP modulation, and reduction of mitochondrial reactive and/or mitochondrial reactive lipid materials | C·杜克 | 2020-09-22 | — | — | CN | disclosed |
| WO-2010129777-A1 | METHODS OF USE OF NITROALKENE COMPOSITIONS IN DERMATOLOGIC APPLICATIONS | PERRICONE NICHOLAS V (US) | 2010-11-11 | — | — | WO | disclosed |
| WO-2010129763-A1 | NITROALKENE COMPOSITIONS | PERRICONE NICHOLAS V (US) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286257-A1 | Methods Of Use Of Nitroalkane Compositions In Dermatologic Applications To Prevent or Treat Skin Aging | N.V. PERRICONE LLC | 2010-11-11 | — | — | US | disclosed |
| US-20100286272-A1 | Methods Of Use Of Nitroalkene Compositions In Dermatologic Applications | PERRICONE NICHOLAS V | 2010-11-11 | — | — | US | disclosed |
| US-20100286271-A1 | Nitro-alkyl Compound Compositions | PERRICONE NICHOLAS V | 2010-11-11 | — | — | US | disclosed |