⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2135477 | 0.89 | — | — | |
| SCHEMBL3434667 | 0.89 | CYP2A6 (0.42) | — | |
| SCHEMBL2132012 | 0.89 | — | — | |
| SCHEMBL1505437 | 0.89 | — | — | |
| SCHEMBL2132173 | 0.88 | — | — | |
| SCHEMBL1505435 | 0.87 | CYP2A6 (0.43) | — | |
| SCHEMBL2134924 | 0.87 | NPC1 (0.41) | — | |
| SCHEMBL1505468 | 0.85 | CYP2A6 (0.41) | — | |
| SCHEMBL1505567 | 0.84 | — | — | |
| SCHEMBL31511983 | 0.83 | CYP2A6 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120101100-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 | ASTRAZENECA AB (SE) | 2012-04-26 | — | — | US | disclosed |
| WO-2011024004-A1 | HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION | ASTRAZENECA AB (SE) | 2011-03-03 | — | — | WO | disclosed |
| WO-2009106885-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 | ASTRAZENECA AB (SE) | 2009-09-03 | — | — | WO | disclosed |