⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3657601 | 0.89 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL3657597 | 0.89 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL3200179 | 0.84 | — | — | |
| SCHEMBL3768867 | 0.82 | AAK1 (0.30) | — | |
| SCHEMBL13010784 | 0.82 | AAK1 (0.30) | — | |
| SCHEMBL3661323 | 0.81 | BACE1 (0.31) | — | |
| SCHEMBL9962948 | 0.78 | — | — | |
| SCHEMBL3660652 | 0.76 | CYP19A1 (0.33) | — | |
| SCHEMBL116412 | 0.73 | OPRM1 (0.33) | — | |
| SCHEMBL3210998 | 0.72 | KMT2A (0.35) | — |
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-9079861-B2 | Cyclic urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2015-07-14 | — | — | US | disclosed |
| US-20100324045-A1 | CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. | 2010-12-23 | — | — | US | disclosed |