⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26889888 | 1.00 | — | — | |
| SCHEMBL27404196 | 0.75 | — | — | |
| SCHEMBL19756437 | 0.72 | BCHE (0.30) | — | |
| SCHEMBL22752352 | 0.72 | BCHE (0.30) | — | |
| SCHEMBL22778515 | 0.72 | — | — | |
| SCHEMBL19756509 | 0.72 | — | — | |
| SCHEMBL22752411 | 0.72 | — | — | |
| SCHEMBL22778692 | 0.72 | — | — | |
| SCHEMBL26304336 | 0.71 | — | — | |
| SCHEMBL24857303 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11912723-B2 | KRAS modulators and uses thereof | QUANTA THERAPEUTICS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20230374042-A1 | KRAS MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. | 2023-11-23 | — | — | US | disclosed |