⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31053415 | 0.68 | — | — | |
| SCHEMBL56190 | 0.44 | — | — | |
| SCHEMBL13523738 | 0.41 | — | — | |
| SCHEMBL24459 | 0.41 | — | — | |
| SCHEMBL4584754 | 0.41 | — | — | |
| Ammonia Solution, Strong SCHEMBL9538468 | 0.39 | ALDH1A1 (0.31) | — | |
| SCHEMBL31122749 | 0.35 | ALDH1A1 (0.33) | — | |
| SCHEMBL2965731 | 0.35 | — | — | |
| SCHEMBL290466 | 0.35 | — | — | |
| SCHEMBL735951 | 0.35 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118541153-A | Conjugates of a TASK1/3 channel blocker and a norepinephrine reuptake inhibitor for the treatment of sleep apnea | 拜耳公司 | 2024-08-23 | — | — | CN | claimed |
| CN-118541153-A | Conjugates of a TASK1/3 channel blocker and a norepinephrine reuptake inhibitor for the treatment of sleep apnea | 拜耳公司 | 2024-08-23 | — | — | CN | disclosed |