⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20979106 | 0.70 | KDM4E (0.45) | — | |
| SCHEMBL20979372 | 0.68 | ADRA1A (0.35) | — | |
| SCHEMBL26789020 | 0.68 | — | — | |
| SCHEMBL20551700 | 0.67 | SIGMAR1 (0.56) | — | |
| SCHEMBL7176355 | 0.62 | MEN1 (0.34) | — | |
| SCHEMBL11215268 | 0.61 | GNAO1 (0.51) | — | |
| SCHEMBL10709150 | 0.61 | GNAO1 (0.51) | — | |
| SCHEMBL19000134 | 0.61 | ACHE (0.51) | — | |
| SCHEMBL11204905 | 0.61 | GNAO1 (0.51) | — | |
| SCHEMBL11203904 | 0.61 | GUSB (0.45) | — |
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-3154966-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | US HEALTH (US) | 2019-05-08 | — | — | EP | disclosed |