⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7510962 | 0.71 | — | — | |
| SCHEMBL264093 | 0.71 | — | — | |
| SCHEMBL17769185 | 0.67 | TOP2A (0.35) | — | |
| SCHEMBL1703146 | 0.67 | — | — | |
| SCHEMBL498571 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL16051192 | 0.63 | PTGS2 (0.30) | — | |
| SCHEMBL17865706 | 0.62 | — | — | |
| SCHEMBL9293045 | 0.62 | — | — | |
| SCHEMBL11983334 | 0.61 | — | — | |
| SCHEMBL1703803 | 0.59 | — | — |
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 |