⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL342693 | 0.89 | AAK1 (0.33) | — | |
| SCHEMBL342692 | 0.89 | AAK1 (0.33) | — | |
| SCHEMBL357909 | 0.89 | AAK1 (0.33) | — | |
| SCHEMBL2264821 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL13006285 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL2264825 | 0.84 | MEN1 (0.31) | — | |
| Biphenyl SCHEMBL27530882 | 0.77 | CYP1A2 (0.41) | — | |
| SCHEMBL17277663 | 0.74 | AAK1 (0.32) | — | |
| SCHEMBL7876573 | 0.74 | AAK1 (0.32) | — | |
| SCHEMBL8994031 | 0.73 | ALDH1A1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2906559-B1 | AZAINDOLINES | HOFFMANN LA ROCHE (CH) | 2017-02-08 | — | — | EP | disclosed |