⚠ 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 | 0.78 | PKM (0.36) | — | |
| SCHEMBL25952343 | 0.78 | PKM (0.36) | — | |
| SCHEMBL18884705 | 0.78 | GAA (0.31) | — | |
| SCHEMBL25952329 | 0.78 | PKM (0.36) | — | |
| SCHEMBL18884703 | 0.78 | GAA (0.31) | — | |
| SCHEMBL18884704 | 0.78 | GAA (0.31) | — | |
| SCHEMBL26170213 | 0.78 | GBA1 (0.31) | — | |
| SCHEMBL23735872 | 0.76 | GAA (0.34) | — | |
| SCHEMBL24204582 | 0.76 | GAA (0.34) | — | |
| SCHEMBL26465385 | 0.76 | — | — |
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-20230026856-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | SPARCBIO LLC | 2023-01-26 | — | — | US | disclosed |