⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL428737 | 0.77 | GAA (0.31) | — | |
| SCHEMBL1549646 | 0.73 | DGAT1 (0.38) | — | |
| SCHEMBL10314948 | 0.70 | — | — | |
| SCHEMBL331834 | 0.69 | — | — | |
| SCHEMBL1273951 | 0.69 | LMNA (0.35) | — | |
| SCHEMBL1160500 | 0.67 | — | — | |
| SCHEMBL16761002 | 0.67 | — | — | |
| SCHEMBL29119800 | 0.67 | — | — | |
| SCHEMBL20570998 | 0.67 | — | — | |
| SCHEMBL1687808 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105636956-B | Indole compounds as inhibitors of cellular necrosis | 株式会社LG化学 | 2019-07-09 | — | — | CN | disclosed |
| CN-105636956-A | Indole compound as inhibitor of necrosis | LG LIFE SCIENCES LTD | 2016-06-01 | — | — | CN | disclosed |