⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3434480 | 0.89 | — | — | |
| SCHEMBL2131790 | 0.88 | — | — | |
| SCHEMBL3431997 | 0.86 | WNT1 (0.39) | — | |
| SCHEMBL3434505 | 0.84 | MAPK1 (0.39) | — | |
| SCHEMBL3432935 | 0.82 | — | — | |
| SCHEMBL3432971 | 0.81 | MAPK1 (0.37) | — | |
| SCHEMBL3434964 | 0.80 | — | — | |
| SCHEMBL3434569 | 0.80 | — | — | |
| SCHEMBL1505576 | 0.79 | — | — | |
| SCHEMBL3432557 | 0.79 | MAPK1 (0.38) | — |
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 |