⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10261241 | 1.00 | — | — | |
| SCHEMBL2600274 | 0.83 | — | — | |
| SCHEMBL7073887 | 0.81 | — | — | |
| Bromide SCHEMBL30107958 | 0.81 | — | — | |
| SCHEMBL8130721 | 0.79 | — | — | |
| SCHEMBL25044120 | 0.74 | — | — | |
| SCHEMBL2279449 | 0.69 | NCF1 (0.43) | — | |
| SCHEMBL21271537 | 0.69 | NCF1 (0.43) | — | |
| SCHEMBL20604732 | 0.67 | — | — | |
| SCHEMBL17106592 | 0.67 | — | — |
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-2022194066-A1 | KRAS G12D INHIBITOR AND APPLICATIONS THEREOF IN MEDICINE | 贝达药业股份有限公司 | 2022-09-22 | — | — | WO | disclosed |