⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24680299 | 0.89 | ADAM17 (0.32) | — | |
| SCHEMBL18994380 | 0.83 | KDM1A (0.30) | — | |
| SCHEMBL24680359 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL172810 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL27308135 | 0.81 | — | — | |
| SCHEMBL27424956 | 0.81 | — | — | |
| SCHEMBL24680297 | 0.81 | — | — | |
| SCHEMBL27300322 | 0.80 | — | — | |
| SCHEMBL27299883 | 0.80 | — | — | |
| SCHEMBL19591969 | 0.80 | KDM4E (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022188729-A1 | FUSED RING DERIVATIVES USEFUL AS KRAS G12D INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |