⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14409136 | 0.83 | — | — | |
| SCHEMBL14865555 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL23841206 | 0.64 | — | — | |
| SCHEMBL24638675 | 0.62 | — | — | |
| SCHEMBL22801155 | 0.61 | — | — | |
| SCHEMBL14865554 | 0.58 | CHRNB2 (0.37) | — | |
| SCHEMBL24471525 | 0.58 | — | — | |
| SCHEMBL13637767 | 0.58 | — | — | |
| SCHEMBL10816523 | 0.56 | CCR2 (0.39) | — | |
| SCHEMBL15857970 | 0.56 | GABRR1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3608315-B1 | PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS | VERTEX PHARMA (US) | 2021-08-11 | — | — | EP | disclosed |