⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1430661 | 0.95 | — | — | |
| SCHEMBL3004959 | 0.94 | — | — | |
| SCHEMBL2997855 | 0.92 | PDE4A (0.39) | — | |
| SCHEMBL3001878 | 0.92 | — | — | |
| SCHEMBL2993732 | 0.91 | — | — | |
| SCHEMBL3001268 | 0.91 | LMNA (0.37) | — | |
| SCHEMBL3001086 | 0.91 | ENPP2 (0.37) | — | |
| SCHEMBL13080268 | 0.90 | ATM (0.41) | — | |
| SCHEMBL2990551 | 0.90 | ENPP2 (0.40) | — | |
| SCHEMBL3003915 | 0.90 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8283361-B2 | Heterocyclic urea derivatives and methods of use thereof | ASTRAZENECA AB (SE) | 2012-10-09 | — | — | US | disclosed |
| US-8283361-B2 | Heterocyclic urea derivatives and methods of use thereof | ASTRAZENECA AB (SE) | 2012-10-09 | — | — | US | disclosed |
| US-20100190745-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-07-29 | — | — | US | disclosed |
| US-20100190745-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-07-29 | — | — | US | disclosed |