⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18673581 | 0.67 | — | — | |
| SCHEMBL3934035 | 0.63 | — | — | |
| SCHEMBL22272950 | 0.61 | — | — | |
| SCHEMBL18435946 | 0.61 | — | — | |
| SCHEMBL18760863 | 0.61 | — | — | |
| SCHEMBL11261081 | 0.61 | — | — | |
| SCHEMBL11277301 | 0.61 | — | — | |
| SCHEMBL24576929 | 0.61 | — | — | |
| SCHEMBL22018184 | 0.59 | — | — | |
| SCHEMBL30307497 | 0.57 | — | — |
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-3265454-B1 | TGF-BETA INHIBITORS | RIGEL PHARMACEUTICALS INC (US) | 2020-02-26 | — | — | EP | disclosed |