⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27297203 | 0.84 | — | — | |
| Hydrogen Sulfide SCHEMBL28208143 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7828243 | 0.76 | — | — | |
| Iodide SCHEMBL9138242 | 0.76 | — | — | |
| SCHEMBL27700916 | 0.73 | — | — | |
| SCHEMBL27950349 | 0.70 | — | — | |
| SCHEMBL30758910 | 0.70 | — | — | |
| SCHEMBL8175781 | 0.69 | — | — | |
| SCHEMBL11173353 | 0.64 | — | — | |
| Sulfuric Acid SCHEMBL29167862 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105669668-A | Pyridoindazole or benzopyridoindazole derivatives and synthesis method thereof | 上海大学 | 2016-06-15 | — | — | CN | claimed |
| CN-105669668-B | Pyrido indazole or benzo pyrido indazole derivative and its synthetic method | 上海大学 | 2018-03-06 | — | — | CN | disclosed |
| CN-105669668-A | Pyridoindazole or benzopyridoindazole derivatives and synthesis method thereof | 上海大学 | 2016-06-15 | — | — | CN | disclosed |