⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9003976 | 0.83 | CA1 (0.33) | — | |
| SCHEMBL22561829 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL12370995 | 0.74 | BCL2 (0.33) | — | |
| SCHEMBL26382424 | 0.74 | — | — | |
| SCHEMBL9945872 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL24633208 | 0.73 | BCL2 (0.32) | — | |
| SCHEMBL19769008 | 0.73 | BCL2 (0.36) | — | |
| SCHEMBL13385366 | 0.70 | BCL2 (0.33) | — | |
| SCHEMBL15082628 | 0.70 | GABRA1 (0.31) | — | |
| SCHEMBL12599608 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11358940-B2 | K-Ras modulators | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-06-14 | — | — | US | disclosed |
| US-20210252174-A1 | METHOD | NORSK MEDISINSK SYKLOTRONSENTER AS (NO) | 2021-08-19 | — | — | US | disclosed |
| US-20200247762-A1 | K-RAS MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-08-06 | — | — | US | disclosed |