⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130327 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL17713287 | 0.87 | — | — | |
| Water SCHEMBL16540451 | 0.87 | — | — | |
| SCHEMBL29089480 | 0.82 | — | — | |
| SCHEMBL2125736 | 0.68 | — | — | |
| Pyrrole SCHEMBL19459027 | 0.68 | GOT1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL3434278 | 0.67 | — | — | |
| SCHEMBL2765070 | 0.67 | — | — | |
| SCHEMBL5700805 | 0.67 | — | — | |
| Pyrrole SCHEMBL1931942 | 0.67 | — | — |
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 |