⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24615211 | 0.84 | — | — | |
| SCHEMBL19334369 | 0.80 | LMNA (0.36) | — | |
| SCHEMBL24474071 | 0.77 | — | — | |
| SCHEMBL357366 | 0.77 | — | — | |
| SCHEMBL11192279 | 0.72 | MAPK1 (0.46) | — | |
| SCHEMBL15976425 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL16253684 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL22878522 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL18930872 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL23138569 | 0.67 | NAMPT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220218695-A1 | COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA | BAYER AKTIENGESELLSCHAFT (DE) | 2022-07-14 | — | — | US | disclosed |
| US-20220218700-A1 | COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA | BAYER AKTIENGESELLSCHAFT (DE) | 2022-07-14 | — | — | US | disclosed |