⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3185830 | 0.55 | — | — | |
| SCHEMBL3189308 | 0.55 | — | — | |
| SCHEMBL3674653 | 0.54 | — | — | |
| SCHEMBL2091941 | 0.54 | — | — | |
| SCHEMBL10136171 | 0.54 | — | — | |
| SCHEMBL12045434 | 0.50 | — | — | |
| SCHEMBL910250 | 0.50 | — | — | |
| SCHEMBL14639748 | 0.46 | — | — | |
| SCHEMBL6160898 | 0.46 | — | — | |
| SCHEMBL11054232 | 0.44 | — | — |
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-4026838-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS | Agios Pharmaceuticals, Inc. (US) | 2022-07-13 | — | — | EP | disclosed |