⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29344163 | 0.84 | — | — | |
| SCHEMBL29344225 | 0.80 | CYP3A4 (0.41) | — | |
| SCHEMBL18721396 | 0.77 | — | — | |
| SCHEMBL25214728 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL18061824 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL23249000 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL1491276 | 0.70 | RAPGEF4 (0.34) | — | |
| SCHEMBL29863478 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL29344223 | 0.68 | SOS1 (0.33) | — | |
| SCHEMBL20974621 | 0.67 | GAA (0.31) | — |
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-20240239788-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2024-07-18 | — | — | US | disclosed |