⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2135636 | 0.92 | — | — | |
| SCHEMBL1506075 | 0.91 | NPC1 (0.42) | — | |
| SCHEMBL3433753 | 0.91 | — | — | |
| SCHEMBL1554035 | 0.90 | — | — | |
| SCHEMBL2134697 | 0.89 | CDK5 (0.44) | — | |
| SCHEMBL2131021 | 0.85 | GSK3B (0.41) | — | |
| SCHEMBL2132612 | 0.85 | CYP19A1 (0.43) | — | |
| SCHEMBL1553463 | 0.84 | — | — | |
| SCHEMBL2133718 | 0.83 | MAPK1 (0.44) | — | |
| SCHEMBL3433532 | 0.83 | CDK5 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120101100-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 | ASTRAZENECA AB (SE) | 2012-04-26 | — | — | US | disclosed |