⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4569251 | 0.81 | — | — | |
| SCHEMBL10453704 | 0.78 | ADH1C (0.35) | — | |
| SCHEMBL12227420 | 0.76 | ADH1A (0.39) | — | |
| SCHEMBL25006764 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL31618698 | 0.74 | ADH1A (0.42) | — | |
| SCHEMBL10016618 | 0.74 | ADH1A (0.42) | — | |
| SCHEMBL387126 | 0.73 | — | — | |
| SCHEMBL19733305 | 0.72 | — | — | |
| SCHEMBL5005063 | 0.70 | — | — | |
| SCHEMBL18369772 | 0.70 | TSHR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2934594-B1 | CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . | ALMIRALL SA (ES) | 2019-09-04 | — | — | EP | disclosed |
| EP-2934594-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | Almirall, S.A. (ES) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095920-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | ALMIRALL, S.A. (ES) | 2014-06-26 | — | — | WO | disclosed |