⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34471708 | 0.64 | PGR (0.30) | — | |
| SCHEMBL1809246 | 0.59 | — | — | |
| Bromide SCHEMBL2717734 | 0.58 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL18230746 | 0.57 | — | — | |
| SCHEMBL9134737 | 0.57 | — | — | |
| SCHEMBL5074927 | 0.57 | — | — | |
| SCHEMBL34472241 | 0.57 | CD44 (0.34) | — | |
| SCHEMBL4333448 | 0.57 | TSHR (0.34) | — | |
| SCHEMBL7146536 | 0.56 | — | — | |
| SCHEMBL8709485 | 0.56 | — | — |
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-1278747-B1 | PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE | ABBOTT LAB (US) | 2006-08-23 | — | — | EP | disclosed |
| US-6642222-B2 | Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions | ABBOTT LABORATORIES | 2003-11-04 | — | — | US | disclosed |
| US-20030055035-A1 | Pyrano piperidino and thiopyrano compounds and methods of use | ABBOTT LABORATORIES | 2003-03-20 | — | — | US | disclosed |