⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7352535 | 0.87 | — | — | |
| SCHEMBL7352124 | 0.85 | KCNH2 (0.33) | — | |
| SCHEMBL7352464 | 0.80 | KCNH2 (0.33) | — | |
| SCHEMBL7355132 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL7352673 | 0.77 | DGAT1 (0.36) | — | |
| SCHEMBL7345865 | 0.77 | SIGMAR1 (0.44) | — | |
| SCHEMBL7357652 | 0.75 | NPSR1 (0.39) | — | |
| SCHEMBL7350207 | 0.70 | SIGMAR1 (0.34) | — | |
| SCHEMBL7349078 | 0.69 | HTR1A (0.35) | — | |
| SCHEMBL7356767 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0972764-A1 | Aminoalcohols and aminoketones as CNS active agents | Universita Degli Studi di Firenze (IT) | 2000-01-19 | — | — | EP | claimed |
| EP-0972764-A1 | Aminoalcohols and aminoketones as CNS active agents | Universita Degli Studi di Firenze (IT) | 2000-01-19 | — | — | EP | disclosed |