⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2092 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL10400041 | 0.86 | — | — | |
| Fluoride SCHEMBL3369470 | 0.86 | — | — | |
| Carbon Dioxide SCHEMBL9347646 | 0.68 | — | — | |
| SCHEMBL9524745 | 0.67 | — | — | |
| SCHEMBL1902190 | 0.67 | — | — | |
| SCHEMBL5780384 | 0.63 | — | — | |
| SCHEMBL9956019 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL2359185 | 0.62 | — | — | |
| Hydroxyl Radical SCHEMBL1932797 | 0.57 | — | — |
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-105980383-B | Azaindole derivatives | 大鹏药品工业株式会社 | 2017-07-04 | — | — | CN | disclosed |
| CN-105980383-A | Azaindole derivatives | 大鹏药品工业株式会社 | 2016-09-28 | — | — | CN | disclosed |