⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14997107 | 1.00 | — | — | |
| SCHEMBL13823055 | 1.00 | — | — | |
| SCHEMBL19622194 | 0.66 | — | — | |
| SCHEMBL27979259 | 0.66 | — | — | |
| SCHEMBL7957750 | 0.65 | — | — | |
| SCHEMBL14369510 | 0.64 | — | — | |
| SCHEMBL8226542 | 0.64 | — | — | |
| SCHEMBL23641009 | 0.61 | — | — | |
| SCHEMBL9939869 | 0.60 | — | — | |
| SCHEMBL2734469 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1038840-C | para-dinitrogen naphthalene derivative, its preparation method and its medical use | SCHERING AG (DE) | 1998-06-24 | — | — | CN | claimed |
| CN-1038840-C | para-dinitrogen naphthalene derivative, its preparation method and its medical use | SCHERING AG (DE) | 1998-06-24 | — | — | CN | disclosed |
| US-5476594-A | Water pollution control for pulp, papermaking wastes | NALCO CHEMICAL COMPANY (US) | 1995-12-19 | — | — | US | disclosed |
| CN-1072929-A | Para-dinitronaphthalene derivative, preparation method and medical application thereof | SCHERING AG (DE) | 1993-06-09 | — | — | CN | disclosed |