⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17177280 | 1.00 | — | — | |
| SCHEMBL21795530 | 0.93 | — | — | |
| SCHEMBL21549978 | 0.89 | — | — | |
| SCHEMBL18972203 | 0.89 | — | — | |
| SCHEMBL20074628 | 0.89 | — | — | |
| SCHEMBL22860505 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL19560009 | 0.82 | HRH3 (0.31) | — | |
| SCHEMBL21567573 | 0.82 | — | — | |
| SCHEMBL24716830 | 0.81 | — | — | |
| SCHEMBL12346568 | 0.79 | — | — |
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-10858335-B2 | 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use | RIGEL PHARMACEUTICALS, INC. (US) | 2020-12-08 | — | — | US | disclosed |
| US-20190284155-A1 | 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use | RIGEL PHARMACEUTICALS, INC. (US) | 2019-09-19 | — | — | US | disclosed |