⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23416754 | 0.70 | OPRK1 (0.33) | — | |
| SCHEMBL23416658 | 0.69 | — | — | |
| SCHEMBL24344900 | 0.67 | CHRNB2 (0.35) | — | |
| SCHEMBL23416752 | 0.67 | — | — | |
| SCHEMBL23416753 | 0.66 | — | — | |
| SCHEMBL7914437 | 0.65 | CCR1 (0.31) | — | |
| SCHEMBL23416657 | 0.64 | CHRNB1 (0.31) | — | |
| SCHEMBL7923229 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL20124978 | 0.62 | DRD2 (0.35) | — | |
| SCHEMBL7951142 | 0.62 | LRRK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11339177-B2 | Heteroaryl compounds as inhibitors of necrosis, composition and method using the same | ACCRO BIOSCIENCE (HK) LIMITED (HK) | 2022-05-24 | — | — | US | disclosed |
| EP-3642193-B1 | HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS AND RELATED COMPOSITION | ZHANG XIAOHU (CN) | 2022-04-27 | — | — | EP | disclosed |
| US-20210155635-A1 | HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME | ACCRO BIOSCIENCE (HK) LIMITED (HK) | 2021-05-27 | — | — | US | disclosed |