⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11090223 | 0.91 | HRH4 (0.31) | — | |
| SCHEMBL11092967 | 0.79 | NPSR1 (0.32) | — | |
| SCHEMBL7052648 | 0.78 | — | — | |
| SCHEMBL2780336 | 0.76 | SPHK1 (0.33) | — | |
| SCHEMBL11092055 | 0.71 | PAOX (0.38) | — | |
| SCHEMBL11086481 | 0.71 | L3MBTL1 (0.41) | — | |
| SCHEMBL20300652 | 0.70 | — | — | |
| SCHEMBL11095162 | 0.70 | L3MBTL1 (0.37) | — | |
| SCHEMBL11097870 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL11131694 | 0.69 | — | — |
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-0049779-B1 | 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1984-10-31 | — | — | EP | disclosed |