⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8863092 | 0.64 | — | — | |
| SCHEMBL361260 | 0.63 | CRBN (0.30) | — | |
| SCHEMBL15249200 | 0.61 | PDK1 (0.32) | — | |
| SCHEMBL22298427 | 0.55 | ALDH1A1 (0.41) | — | |
| SCHEMBL446772 | 0.55 | — | — | |
| SCHEMBL24171958 | 0.53 | — | — | |
| SCHEMBL9436939 | 0.53 | — | — | |
| SCHEMBL25140576 | 0.53 | — | — | |
| SCHEMBL106510 | 0.53 | — | — | |
| SCHEMBL1523123 | 0.53 | — | — |
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-4085059-B1 | HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME | ACCRO BIOSCIENCE HK LTD (HK) | 2024-03-20 | — | — | EP | disclosed |