⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28629027 | 0.93 | GBA1 (0.44) | — | |
| SCHEMBL8442727 | 0.84 | — | — | |
| SCHEMBL15133926 | 0.84 | — | — | |
| SCHEMBL11892697 | 0.84 | — | — | |
| SCHEMBL11892698 | 0.84 | — | — | |
| SCHEMBL18271379 | 0.81 | — | — | |
| SCHEMBL13900662 | 0.81 | — | — | |
| SCHEMBL22648343 | 0.79 | GBA1 (0.40) | — | |
| SCHEMBL24661450 | 0.79 | GBA1 (0.40) | — | |
| SCHEMBL24662661 | 0.79 | GBA1 (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 |
|---|---|---|---|---|---|---|---|
| US-20070254920-A1 | Prodrug derivatives of acids using alcohols with homotopic hydroxy groups and methods for their preparation and use | AERIE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | US | disclosed |