⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3660652 | 0.73 | CYP19A1 (0.33) | — | |
| SCHEMBL3768869 | 0.70 | — | — | |
| SCHEMBL3657597 | 0.67 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL3657601 | 0.67 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9962948 | 0.65 | — | — | |
| SCHEMBL3661323 | 0.65 | BACE1 (0.31) | — | |
| SCHEMBL3210998 | 0.63 | KMT2A (0.35) | — | |
| SCHEMBL9962945 | 0.62 | KMT2A (0.33) | — | |
| SCHEMBL12165947 | 0.62 | RIPK1 (0.33) | — | |
| SCHEMBL1978544 | 0.61 | KMT2A (0.36) | — |
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-2220052-B1 | CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS INC (US) | 2015-03-25 | — | — | EP | disclosed |
| EP-2220052-A1 | CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009061498-A1 | CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |