⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26490120 | 0.84 | — | — | |
| SCHEMBL21727709 | 0.77 | — | — | |
| SCHEMBL757252 | 0.74 | CA12 (0.31) | — | |
| SCHEMBL4212942 | 0.74 | CA12 (0.31) | — | |
| SCHEMBL21516066 | 0.70 | — | — | |
| SCHEMBL1449127 | 0.69 | — | — | |
| SCHEMBL24711956 | 0.69 | — | — | |
| SCHEMBL23838513 | 0.69 | — | — | |
| SCHEMBL1507859 | 0.68 | — | — | |
| SCHEMBL25144494 | 0.67 | — | — |
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-2022129041-A1 | PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR | H. LUNDBECK A/S (DK) | 2022-06-23 | — | — | WO | disclosed |