⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8213363 | 0.78 | — | — | |
| SCHEMBL247631 | 0.76 | — | — | |
| SCHEMBL746203 | 0.76 | — | — | |
| SCHEMBL14434069 | 0.76 | — | — | |
| SCHEMBL21706524 | 0.76 | — | — | |
| SCHEMBL1989953 | 0.76 | ALDH1A1 (0.55) | — | |
| SCHEMBL10286985 | 0.74 | — | — | |
| Bromide SCHEMBL27358834 | 0.74 | — | — | |
| SCHEMBL1254922 | 0.74 | ALDH1A1 (0.59) | — | |
| SCHEMBL1768160 | 0.74 | — | — |
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 |