⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5993214 | 0.71 | — | — | |
| SCHEMBL5994573 | 0.71 | — | — | |
| SCHEMBL5993220 | 0.71 | — | — | |
| SCHEMBL13415445 | 0.70 | — | — | |
| SCHEMBL8968728 | 0.70 | — | — | |
| SCHEMBL5054222 | 0.65 | — | — | |
| SCHEMBL5453446 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL3071497 | 0.61 | — | — | |
| SCHEMBL3476441 | 0.61 | NPC1 (0.38) | — | |
| SCHEMBL5990803 | 0.55 | — | — |
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-1613588-A2 | 2-PROPYLIDENE-19-NOR-VITAMIN D COMPOUNDS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2006-01-11 | — | — | EP | claimed |
| WO-2004092118-A2 | 2-PROPYLIDENE-19-NOR-VITAMIN D COMPOUNDS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2004-10-28 | — | — | WO | claimed |
| US-20060154922-A1 | Muscarinic agonists | ELILILLY AND COMPANY (US) | 2006-07-13 | — | — | US | disclosed |