⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30316733 | 1.00 | — | — | |
| SCHEMBL531613 | 1.00 | — | — | |
| SCHEMBL29240535 | 1.00 | — | — | |
| SCHEMBL12533533 | 0.98 | TSHR (0.43) | — | |
| SCHEMBL22263381 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL31361158 | 0.85 | ALDH1A1 (0.37) | — | |
| SCHEMBL9065034 | 0.85 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28248572 | 0.83 | HRH3 (0.37) | — | |
| SCHEMBL31111388 | 0.83 | HRH3 (0.43) | — | |
| SCHEMBL15321440 | 0.79 | DRD2 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118265691-A | Cyclohexylbeta-hydroxyalkylamines and their medical use | 阿托基公司 | 2024-06-28 | — | — | CN | disclosed |
| US-20050043358-A1 | Aminoalcohol derivatives and their use as beta 3 adrenergic agonists | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2005-02-24 | — | — | US | disclosed |
| US-20020143034-A1 | Aminoalcohol derivatives and their use as beta 3 adrenergic agonists | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2002-10-03 | — | — | US | disclosed |