⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2737088 | 0.89 | — | — | |
| SCHEMBL2736783 | 0.82 | MAPT (0.47) | — | |
| SCHEMBL2737153 | 0.80 | — | — | |
| SCHEMBL2737078 | 0.80 | — | — | |
| SCHEMBL10208272 | 0.78 | POLB (0.39) | — | |
| SCHEMBL2736960 | 0.78 | GABRA1 (0.41) | — | |
| SCHEMBL2736827 | 0.77 | — | — | |
| SCHEMBL2736994 | 0.77 | POLB (0.38) | — | |
| SCHEMBL10207829 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL2736652 | 0.76 | MAPT (0.37) | — |
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-2402314-A1 | (Aza)indole derivative and use thereof for medical purposes | Kissei Pharmaceutical Co., Ltd. (JP) | 2012-01-04 | — | — | EP | disclosed |