⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9069580 | 0.75 | — | — | |
| SCHEMBL18896666 | 0.67 | — | — | |
| SCHEMBL8077995 | 0.67 | — | — | |
| SCHEMBL18608946 | 0.65 | — | — | |
| SCHEMBL2743212 | 0.63 | — | — | |
| SCHEMBL13893602 | 0.61 | — | — | |
| SCHEMBL14748636 | 0.61 | — | — | |
| SCHEMBL13061922 | 0.58 | — | — | |
| SCHEMBL4428428 | 0.58 | — | — | |
| SCHEMBL22851395 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220395503-A1 | PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS | AGIOS PHARMACEUTICALS, INC. | 2022-12-15 | — | — | US | disclosed |