⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116486 | 0.76 | — | — | |
| SCHEMBL202631 | 0.75 | — | — | |
| SCHEMBL29636055 | 0.75 | — | — | |
| SCHEMBL15618232 | 0.75 | HTT (0.52) | — | |
| SCHEMBL189764 | 0.75 | — | — | |
| SCHEMBL30041615 | 0.75 | — | — | |
| SCHEMBL618186 | 0.71 | — | — | |
| SCHEMBL13180224 | 0.71 | — | — | |
| SCHEMBL116402 | 0.71 | — | — | |
| SCHEMBL8892322 | 0.71 | — | — |
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-3129367-B1 | 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS | RIGEL PHARMACEUTICALS INC (US) | 2019-09-04 | — | — | EP | disclosed |