⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL770517 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL770758 | 0.83 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL770381 | 0.83 | ITGB3 (0.41) | — | |
| SCHEMBL770768 | 0.83 | ITGB3 (0.41) | — | |
| SCHEMBL772365 | 0.81 | PDE4B (0.34) | — | |
| SCHEMBL770696 | 0.80 | MEN1 (0.38) | — | |
| SCHEMBL770718 | 0.79 | PRMT5 (0.41) | — | |
| SCHEMBL770413 | 0.78 | RBP4 (0.38) | — | |
| SCHEMBL772492 | 0.77 | L3MBTL3 (0.33) | — | |
| SCHEMBL769789 | 0.77 | NPC1 (0.42) | — |
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-8524894-B2 | Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 | LABORATORIOS SALVAT, S.A. (ES) | 2013-09-03 | — | — | US | disclosed |
| US-20120071466-A1 | INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 | LABORATORIOS SALVAT, S.A. (ES) | 2012-03-22 | — | — | US | disclosed |