⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4484137 | 0.81 | — | — | |
| SCHEMBL4482909 | 0.79 | EPOR (0.34) | — | |
| SCHEMBL4485948 | 0.76 | GSR (0.36) | — | |
| SCHEMBL6265182 | 0.70 | HTT (0.34) | — | |
| SCHEMBL10791747 | 0.68 | SMPD2 (0.40) | — | |
| SCHEMBL4483601 | 0.67 | APP (0.33) | — | |
| SCHEMBL7423062 | 0.66 | CYP1A2 (0.47) | — | |
| SCHEMBL7423057 | 0.66 | CYP1A2 (0.47) | — | |
| SCHEMBL19809851 | 0.65 | KMT2A (0.35) | — | |
| SCHEMBL17981343 | 0.64 | MME (0.36) | — |
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 2 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 |