⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4249477 | 0.79 | — | — | |
| SCHEMBL2643994 | 0.77 | — | — | |
| SCHEMBL6599847 | 0.74 | — | — | |
| SCHEMBL4392871 | 0.74 | — | — | |
| SCHEMBL1061187 | 0.73 | — | — | |
| SCHEMBL7561905 | 0.73 | — | — | |
| SCHEMBL5754707 | 0.71 | MAPT (0.48) | — | |
| SCHEMBL5751505 | 0.71 | MAPT (0.48) | — | |
| SCHEMBL30116320 | 0.71 | — | — | |
| Water SCHEMBL28549194 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438353-B | 3-gem-dinitromethyl-5-nitropyrazole hydrazine compound | 西安近代化学研究所 | 2020-10-27 | — | — | CN | disclosed |
| CN-109251174-B | 3-trinitromethylpyrazole compounds | 西安近代化学研究所 | 2020-06-23 | — | — | CN | disclosed |