⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4377095 | 0.93 | NR3C2 (0.49) | — | |
| SCHEMBL8260819 | 0.92 | NR3C2 (0.48) | — | |
| SCHEMBL8258943 | 0.92 | — | — | |
| SCHEMBL8259456 | 0.90 | NR3C2 (0.46) | — | |
| SCHEMBL8260796 | 0.88 | — | — | |
| SCHEMBL8258497 | 0.88 | NR3C2 (0.58) | — | |
| SCHEMBL8259862 | 0.87 | NR3C2 (0.45) | — | |
| SCHEMBL8261070 | 0.84 | NR3C2 (0.57) | — | |
| SCHEMBL13587763 | 0.84 | — | — | |
| SCHEMBL8260833 | 0.84 | NR3C2 (0.47) | — |
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-20090298872-A1 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM LLC (BM) | 2009-12-03 | — | — | US | disclosed |
| WO-2006066011-A2 | COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES | IRM LLC (BM) | 2006-06-22 | — | — | WO | disclosed |