⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4497205 | 0.73 | — | — | |
| SCHEMBL9998552 | 0.69 | — | — | |
| SCHEMBL2010866 | 0.69 | — | — | |
| SCHEMBL20578549 | 0.69 | KCNH2 (0.40) | — | |
| SCHEMBL31504928 | 0.67 | HAO1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL2450441 | 0.67 | — | — | |
| SCHEMBL8040574 | 0.65 | — | — | |
| SCHEMBL20437884 | 0.65 | KCNH2 (0.38) | — | |
| SCHEMBL19303487 | 0.65 | KCNH2 (0.38) | — | |
| SCHEMBL20409158 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |