⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25046291 | 0.82 | — | — | |
| SCHEMBL16647747 | 0.76 | — | — | |
| SCHEMBL26325951 | 0.72 | — | — | |
| SCHEMBL22171177 | 0.67 | — | — | |
| SCHEMBL23985641 | 0.67 | — | — | |
| SCHEMBL25091280 | 0.67 | — | — | |
| SCHEMBL24086615 | 0.65 | GRIN2D (0.30) | — | |
| SCHEMBL19242650 | 0.65 | — | — | |
| SCHEMBL22193287 | 0.65 | GRIN2D (0.31) | — | |
| Formaldehyde SCHEMBL22773513 | 0.63 | GRIN2D (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024050020-A1 | INVARIANT NATURAL KILLER T-CELL ACTIVATORS | DECIDUOUS THERAPEUTICS, INC. (US) | 2024-03-07 | — | — | WO | disclosed |
| US-20230137932-A1 | CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 | DANA-FARBER CANCER INSTITUTE, INC. | 2023-05-04 | — | — | US | disclosed |