⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14063042 | 0.74 | ERN1 (0.34) | — | |
| SCHEMBL1169617 | 0.73 | — | — | |
| SCHEMBL6305183 | 0.73 | — | — | |
| SCHEMBL20548246 | 0.72 | — | — | |
| SCHEMBL3324337 | 0.71 | IKBKB (0.41) | — | |
| SCHEMBL22832582 | 0.70 | — | — | |
| SCHEMBL1622537 | 0.69 | CYP2A6 (0.35) | — | |
| SCHEMBL16901854 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL20677626 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL3887912 | 0.68 | DAO (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4709371-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | Merck Sharp & Dohme LLC (US) | 2026-03-18 | — | — | EP | disclosed |
| WO-2024233776-A1 | SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT | MERCK SHARP & DOHME LLC (US) | 2024-11-14 | — | — | WO | disclosed |