⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL871125 | 0.85 | GSK3B (0.33) | — | |
| SCHEMBL871636 | 0.83 | KAT6A (0.40) | — | |
| SCHEMBL11985203 | 0.83 | KAT6A (0.40) | — | |
| SCHEMBL869820 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL870934 | 0.82 | XDH (0.45) | — | |
| SCHEMBL11985204 | 0.82 | SCN10A (0.40) | — | |
| SCHEMBL10182185 | 0.80 | KMO (0.41) | — | |
| SCHEMBL869138 | 0.79 | XDH (0.35) | — | |
| SCHEMBL11985143 | 0.79 | CTSA (0.38) | — | |
| SCHEMBL872183 | 0.79 | CTSA (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383825-B2 | Kinase inhibitors | ALLERGAN, INC. (US) | 2013-02-26 | — | — | US | disclosed |
| US-20120207810-A1 | Kinase Inhibitors | SPADA LON T (US) | 2012-08-16 | — | — | US | disclosed |
| US-8143410-B2 | Kinase inhibitors | ALLERGAN, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110263611-A1 | Kinase Inhibitors | ALLERGAN, INC. | 2011-10-27 | — | — | US | disclosed |
| US-20090196906-A1 | Kinase inhibitors | ALLERGAN, INC. | 2009-08-06 | — | — | US | disclosed |