⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3924319 | 1.00 | — | — | |
| SCHEMBL15038031 | 0.98 | CYP1A2 (0.59) | — | |
| SCHEMBL14022362 | 0.93 | — | — | |
| SCHEMBL19931582 | 0.93 | — | — | |
| SCHEMBL12885023 | 0.93 | — | — | |
| SCHEMBL18270873 | 0.82 | — | — | |
| SCHEMBL18270953 | 0.82 | — | — | |
| SCHEMBL24151032 | 0.82 | — | — | |
| SCHEMBL9550257 | 0.80 | CYP1A2 (0.59) | — | |
| SCHEMBL8328456 | 0.78 | — | — |
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-2022148422-A1 | BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2022-07-14 | — | — | WO | disclosed |