⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20314941 | 0.89 | PKM (0.36) | — | |
| SCHEMBL25952329 | 0.89 | PKM (0.36) | — | |
| SCHEMBL25952343 | 0.89 | PKM (0.36) | — | |
| SCHEMBL18884705 | 0.77 | GAA (0.31) | — | |
| SCHEMBL18884704 | 0.77 | GAA (0.31) | — | |
| SCHEMBL18884703 | 0.77 | GAA (0.31) | — | |
| SCHEMBL24980413 | 0.76 | — | — | |
| SCHEMBL9559583 | 0.76 | — | — | |
| SCHEMBL23735872 | 0.74 | GAA (0.34) | — | |
| SCHEMBL20314954 | 0.74 | PKM (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072257-A1 | PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-04 | — | — | WO | disclosed |