⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20435017 | 0.85 | DNMT1 (0.41) | — | |
| SCHEMBL20435020 | 0.85 | DNMT1 (0.41) | — | |
| SCHEMBL26292123 | 0.78 | ADORA3 (0.43) | — | |
| SCHEMBL24505731 | 0.73 | ADORA3 (0.48) | — | |
| SCHEMBL26292122 | 0.70 | SLC29A1 (0.48) | — | |
| SCHEMBL20435022 | 0.70 | SLC29A1 (0.48) | — | |
| SCHEMBL20435023 | 0.70 | SLC29A1 (0.48) | — | |
| SCHEMBL20434958 | 0.68 | ADORA3 (0.44) | — | |
| SCHEMBL24505811 | 0.68 | ADORA3 (0.44) | — | |
| SCHEMBL20435013 | 0.67 | ADORA3 (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-3573996-B1 | COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN | ACADEMIA SINICA (TW) | 2022-06-15 | — | — | EP | disclosed |