⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19808174 | 0.86 | — | — | |
| SCHEMBL27070571 | 0.86 | — | — | |
| SCHEMBL24342353 | 0.75 | — | — | |
| SCHEMBL13464474 | 0.70 | — | — | |
| SCHEMBL18544646 | 0.69 | — | — | |
| SCHEMBL24615884 | 0.68 | — | — | |
| SCHEMBL13464406 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL6818818 | 0.62 | — | — | |
| SCHEMBL6591834 | 0.62 | GRIN1 (0.33) | — | |
| SCHEMBL25826641 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021203023-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |