⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791300 | 0.62 | — | — | |
| SCHEMBL9479761 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL590320 | 0.59 | CYP1A2 (0.41) | — | |
| Water SCHEMBL10620440 | 0.58 | NAPRT (0.48) | — | |
| SCHEMBL91340 | 0.56 | ALDH1A1 (0.45) | — | |
| SCHEMBL2540575 | 0.56 | POLB (0.43) | — | |
| SCHEMBL14480386 | 0.56 | — | — | |
| SCHEMBL783095 | 0.54 | — | — | |
| SCHEMBL291488 | 0.53 | — | — | |
| SCHEMBL10314053 | 0.51 | BRPF1 (0.41) | — |
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-2183228-B1 | CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2014-08-20 | — | — | EP | disclosed |
| US-8575156-B2 | Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20110015157-A1 | CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals ,Inc. | 2011-01-20 | — | — | US | disclosed |