⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23328979 | 0.74 | CHRNA7 (0.31) | — | |
| SCHEMBL21162001 | 0.71 | MAPK8 (0.44) | — | |
| SCHEMBL87533 | 0.71 | — | — | |
| SCHEMBL5950443 | 0.71 | NOS3 (0.33) | — | |
| Hydrogen Sulfide SCHEMBL27419867 | 0.68 | — | — | |
| SCHEMBL5612786 | 0.67 | CCR1 (0.61) | — | |
| SCHEMBL11994403 | 0.66 | HTT (0.33) | — | |
| SCHEMBL30263002 | 0.66 | NISCH (0.40) | — | |
| SCHEMBL252799 | 0.66 | NISCH (0.40) | — | |
| SCHEMBL13209285 | 0.66 | KDM4E (0.52) | — |
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-11806335-B2 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | Lilac Therapeutics, Inc. (US) | 2023-11-07 | — | — | US | disclosed |
| US-11806335-B2 | Heterocyclic carboxylate compounds as glycolate oxidase inhibitors | Lilac Therapeutics, Inc. (US) | 2023-11-07 | — | — | US | disclosed |
| US-20210128532-A1 | HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS | Lilac Therapeutics, Inc. | 2021-05-06 | — | — | US | disclosed |