⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3813766 | 1.00 | — | — | |
| SCHEMBL4507427 | 0.78 | — | — | |
| SCHEMBL4507423 | 0.78 | — | — | |
| SCHEMBL4507425 | 0.78 | — | — | |
| SCHEMBL1437550 | 0.78 | — | — | |
| SCHEMBL7195083 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL7195077 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL10895721 | 0.76 | TDP1 (0.32) | — | |
| SCHEMBL7009782 | 0.74 | — | — | |
| SCHEMBL7009781 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-20090298872-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM LLC (BM) | 2009-12-03 | — | — | US | disclosed |
| EP-1828135-A4 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM LLC (BM) | 2009-08-12 | — | — | EP | disclosed |
| EP-1828135-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM, LLC (BM) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006066011-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM LLC (BM) | 2006-06-22 | — | — | WO | disclosed |