⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18914853 | 0.77 | — | — | |
| SCHEMBL18648800 | 0.77 | — | — | |
| SCHEMBL24499224 | 0.74 | — | — | |
| SCHEMBL9436294 | 0.74 | — | — | |
| SCHEMBL860279 | 0.74 | — | — | |
| SCHEMBL1310257 | 0.72 | GABRR1 (0.33) | — | |
| SCHEMBL1310256 | 0.72 | GABRR1 (0.33) | — | |
| SCHEMBL16247887 | 0.72 | — | — | |
| SCHEMBL22945512 | 0.71 | — | — | |
| SCHEMBL20415127 | 0.71 | PARP1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024019541-A1 | HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF | 일동제약(주) | 2024-01-25 | — | — | WO | disclosed |
| 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 |