⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20000800 | 0.95 | — | — | |
| SCHEMBL17826441 | 0.71 | — | — | |
| SCHEMBL20000798 | 0.70 | — | — | |
| SCHEMBL20132622 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL24566446 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL20000790 | 0.66 | — | — | |
| SCHEMBL20000865 | 0.66 | — | — | |
| SCHEMBL25159085 | 0.66 | — | — | |
| SCHEMBL18596060 | 0.65 | — | — | |
| SCHEMBL19560136 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10822337-B2 | TGF-β inhibitorC | RIGEL PHARMACEUTICALS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-20180086764-A1 | TGF-ß Inhibitors | MIDCAP FINANCIAL TRUST | 2018-03-29 | — | — | US | disclosed |