⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3694927 | 0.90 | SLC6A4 (0.34) | — | |
| SCHEMBL8528688 | 0.88 | SLC6A3 (0.37) | — | |
| SCHEMBL29956463 | 0.84 | — | — | |
| SCHEMBL29951285 | 0.77 | — | — | |
| SCHEMBL29956234 | 0.70 | SLC6A2 (0.35) | — | |
| SCHEMBL1426645 | 0.69 | — | — | |
| SCHEMBL1426248 | 0.67 | — | — | |
| SCHEMBL3193317 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL3192661 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL3963526 | 0.65 | TSHR (0.42) | — |
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-20210040089-A1 | KRAS MUTANT PROTEIN INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. | 2021-02-11 | — | — | US | disclosed |
| WO-2021023247-A1 | KRAS MUTANT PROTEIN INHIBITOR | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-02-11 | — | — | WO | disclosed |