⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30400753 | 1.00 | — | — | |
| SCHEMBL25168418 | 0.96 | DHFR (0.33) | — | |
| SCHEMBL30492194 | 0.96 | DHFR (0.33) | — | |
| SCHEMBL25168419 | 0.96 | DHFR (0.33) | — | |
| SCHEMBL30492186 | 0.94 | KDM4E (0.30) | — | |
| SCHEMBL25168445 | 0.90 | DHFR (0.33) | — | |
| SCHEMBL25250617 | 0.90 | DHFR (0.33) | — | |
| SCHEMBL30492187 | 0.90 | DHFR (0.33) | — | |
| SCHEMBL24343763 | 0.89 | KDM4E (0.30) | — | |
| SCHEMBL25730679 | 0.84 | — | — |
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-20230144211-A1 | ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES | BYONDIS B.V. (NL) | 2023-05-11 | — | — | US | disclosed |