⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11859676 | 0.75 | — | — | |
| SCHEMBL22869254 | 0.75 | — | — | |
| SCHEMBL761439 | 0.75 | — | — | |
| SCHEMBL15049109 | 0.73 | BRD4 (0.41) | — | |
| SCHEMBL2917683 | 0.71 | — | — | |
| SCHEMBL22504955 | 0.71 | PIK3CD (0.45) | — | |
| SCHEMBL5639141 | 0.71 | — | — | |
| SCHEMBL1272614 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL6849692 | 0.70 | TSHR (0.47) | — | |
| SCHEMBL10920232 | 0.70 | LMNA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511065-B2 | Mixed lineage kinase modulators | ELI LILLY AND COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-20080113977-A1 | Mixed Lineage Kinase Modulators | ELI LILLY AND COMPANY | 2008-05-15 | — | — | US | disclosed |
| WO-2004048383-A1 | MIXED LINEAGE KINASE MODULATORS | ELI LILLY AND COMPANY (US) | 2004-06-10 | — | — | WO | disclosed |