⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29581742 | 0.85 | — | — | |
| SCHEMBL31036833 | 0.77 | SLC1A3 (0.47) | — | |
| SCHEMBL5167177 | 0.76 | — | — | |
| Norvaline SCHEMBL197812 | 0.76 | — | — | |
| Norvaline SCHEMBL38404 | 0.76 | — | — | |
| SCHEMBL16272838 | 0.76 | — | — | |
| Norvaline SCHEMBL840389 | 0.76 | SLC1A2 (0.64) | — | |
| SCHEMBL2266247 | 0.76 | — | — | |
| Norvaline SCHEMBL21114359 | 0.76 | SLC1A2 (0.64) | — | |
| SCHEMBL8299449 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260001914-A1 | MACROCYCLIC PEPTIDES TARGETING KRAS | MERCK SHARP & DOHME LLC (US) | 2026-01-01 | — | — | US | disclosed |
| EP-4558513-A1 | MACROCYCLIC PEPTIDES TARGETING KRAS | Merck Sharp & Dohme LLC (US) | 2025-05-28 | — | — | EP | disclosed |
| WO-2024020159-A1 | MACROCYCLIC PEPTIDES TARGETING KRAS | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | WO | disclosed |