⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2934660 | 0.91 | KMT2A (0.31) | — | |
| SCHEMBL2548747 | 0.85 | CTSL (0.30) | — | |
| SCHEMBL3770808 | 0.82 | — | — | |
| SCHEMBL12233933 | 0.81 | — | — | |
| SCHEMBL13010742 | 0.76 | CACNA1G (0.32) | — | |
| SCHEMBL2567032 | 0.70 | KCNN4 (0.33) | — | |
| SCHEMBL2567035 | 0.70 | KCNN4 (0.33) | — | |
| SCHEMBL2567029 | 0.70 | KCNN4 (0.33) | — | |
| SCHEMBL3210998 | 0.69 | KMT2A (0.35) | — | |
| SCHEMBL3211002 | 0.69 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110263582-A1 | CYCLIC UREA INHIBITORS OF 11 B-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. | 2011-10-27 | — | — | US | disclosed |