⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7359569 | 0.97 | — | — | |
| SCHEMBL608066 | 0.94 | — | — | |
| SCHEMBL610809 | 0.87 | — | — | |
| SCHEMBL9405330 | 0.75 | ADH1B (0.34) | — | |
| SCHEMBL6766085 | 0.73 | ADH1B (0.36) | — | |
| SCHEMBL29860701 | 0.73 | ADH1B (0.36) | — | |
| SCHEMBL3848698 | 0.71 | ADH1B (0.40) | — | |
| SCHEMBL6873949 | 0.71 | ADH1B (0.40) | — | |
| SCHEMBL2021416 | 0.71 | ADH1B (0.40) | — | |
| SCHEMBL1691999 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6040449-A | USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-03-21 | — | — | US | disclosed |
| US-5948792-A | POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |
| CN-1226888-A | Fluorinated 1,4-disubstituted piperidine derivatives | BANYU PHARMA CO LTD (JP) | 1999-08-25 | — | — | CN | disclosed |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |