⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20722682 | 0.89 | SLC6A9 (0.32) | — | |
| SCHEMBL17043071 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL23244921 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL3123333 | 0.78 | DGAT1 (0.37) | — | |
| SCHEMBL15391751 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL1035022 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL23573552 | 0.74 | DGAT1 (0.34) | — | |
| SCHEMBL23573531 | 0.74 | DGAT1 (0.34) | — | |
| SCHEMBL643093 | 0.73 | KDM4E (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL20899680 | 0.72 | DGAT1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2276730-A2 | CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009131669-A2 | CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-10-29 | — | — | WO | disclosed |