⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27539360 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL7149735 | 0.79 | — | — | |
| SCHEMBL8560782 | 0.79 | — | — | |
| SCHEMBL7155836 | 0.79 | — | — | |
| SCHEMBL19717486 | 0.79 | — | — | |
| SCHEMBL27849153 | 0.78 | — | — | |
| SCHEMBL9184609 | 0.71 | — | — | |
| SCHEMBL29666105 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL27712299 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL313626 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109175-B1 | saponin-like compounds isolated from Mandevilla species; comprising saponin oligosugar bound to a pregnane-3 beta -ol steroid portion; for decreasing spontaneous cell proliferation | UNIVERSITE DE SHERBROOKE (CA) | 2006-09-19 | — | — | US | claimed |
| US-7109175-B1 | saponin-like compounds isolated from Mandevilla species; comprising saponin oligosugar bound to a pregnane-3 beta -ol steroid portion; for decreasing spontaneous cell proliferation | UNIVERSITE DE SHERBROOKE (CA) | 2006-09-19 | — | — | US | disclosed |
| EP-1028734-B1 | USE OF SPECIFIC STEADY-STATE R-TYPE CALCIUM CHANNEL BLOCKERS | UNIV SHERBROOKE (CA) | 2006-02-22 | — | — | EP | disclosed |
| EP-1028734-A1 | $i(SPECIFIC) STEADY-STATE R-TYPE Ca?2+ CHANNEL BLOCKERS AND USE THEREOF | Université de Sherbrooke (CA) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999016449-A1 | SPECIFIC STEADY-STATE R-TYPE Ca2+ CHANNEL BLOCKERS AND USE THEREOF | UNIVERSITE DE SHERBROOKE (CA) | 1999-04-08 | — | — | WO | disclosed |