⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5105795 | 0.82 | ALOX15 (0.33) | — | |
| SCHEMBL4470930 | 0.79 | ALOX15 (0.32) | — | |
| SCHEMBL149576 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL4473097 | 0.77 | HDAC2 (0.34) | — | |
| SCHEMBL4489489 | 0.77 | NLRP3 (0.31) | — | |
| SCHEMBL2038948 | 0.77 | ALOX15 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28069582 | 0.76 | LOXL2 (0.36) | — | |
| SCHEMBL8588110 | 0.73 | — | — | |
| SCHEMBL4487670 | 0.73 | HTR1A (0.36) | — | |
| SCHEMBL4478476 | 0.71 | SMN1; SMN2 (0.44) | — |
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-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 |
| EP-1567528-A1 | MIXED LINEAGE KINASE MODULATORS | ELI LILLY AND COMPANY (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048383-A1 | MIXED LINEAGE KINASE MODULATORS | ELI LILLY AND COMPANY (US) | 2004-06-10 | — | — | WO | disclosed |