⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20523161 | 0.70 | — | — | |
| SCHEMBL20522901 | 0.67 | — | — | |
| SCHEMBL6518450 | 0.64 | — | — | |
| SCHEMBL7324318 | 0.61 | ADRA2A (0.33) | — | |
| SCHEMBL20523220 | 0.61 | — | — | |
| SCHEMBL15230576 | 0.60 | — | — | |
| Water SCHEMBL15512814 | 0.56 | — | — | |
| SCHEMBL2227411 | 0.51 | — | — | |
| SCHEMBL12500558 | 0.51 | — | — | |
| SCHEMBL7217531 | 0.51 | — | — |
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-2170309-B1 | 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL | HYDRA BIOSCIENCES INC (US) | 2016-10-26 | — | — | EP | disclosed |