⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13713091 | 0.81 | NCF1 (0.32) | — | |
| SCHEMBL13576372 | 0.81 | NCF1 (0.32) | — | |
| SCHEMBL23338838 | 0.77 | — | — | |
| SCHEMBL13888481 | 0.77 | KAT2B (0.35) | — | |
| SCHEMBL22308808 | 0.72 | — | — | |
| SCHEMBL3036952 | 0.71 | — | — | |
| SCHEMBL92497 | 0.71 | — | — | |
| SCHEMBL13006324 | 0.71 | — | — | |
| SCHEMBL13006317 | 0.71 | — | — | |
| SCHEMBL18823642 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024081363-A1 | COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER | Revolution Medicines, Inc. (US) | 2024-04-18 | — | — | WO | disclosed |