⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16785548 | 0.85 | DNM1 (0.34) | — | |
| SCHEMBL8170953 | 0.80 | — | — | |
| SCHEMBL10071595 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL27861394 | 0.76 | — | — | |
| SCHEMBL22923004 | 0.74 | — | — | |
| SCHEMBL17383235 | 0.73 | — | — | |
| SCHEMBL926581 | 0.70 | — | — | |
| SCHEMBL27355797 | 0.70 | — | — | |
| SCHEMBL12344940 | 0.70 | — | — | |
| SCHEMBL4212942 | 0.69 | CA12 (0.31) | — |
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-3184527-A1 | 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) | 2017-06-28 | — | — | EP | disclosed |