⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22746947 | 1.00 | — | — | |
| SCHEMBL2611056 | 1.00 | — | — | |
| SCHEMBL727473 | 1.00 | — | — | |
| SCHEMBL2736332 | 1.00 | — | — | |
| SCHEMBL2783019 | 1.00 | — | — | |
| SCHEMBL354894 | 0.88 | — | — | |
| SCHEMBL15508582 | 0.88 | — | — | |
| SCHEMBL15318526 | 0.88 | — | — | |
| SCHEMBL22430325 | 0.88 | OPRM1 (0.45) | — | |
| SCHEMBL14706848 | 0.88 | OPRM1 (0.45) | — |
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-101796050-B | The manufacture method of optical activity 3-quinuclidinol derivatives | NIPPON SODA CO.,LTD. (JP) | 2015-08-12 | — | — | CN | disclosed |
| CN-101796050-A | The manufacture method of optical activity 3-quinuclidinol derivatives | UNIV HOKKAIDO NAT UNIV CORP | 2010-08-04 | — | — | CN | disclosed |