⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21250559 | 0.75 | — | — | |
| SCHEMBL18133908 | 0.69 | EPHX1 (0.31) | — | |
| SCHEMBL19962844 | 0.67 | — | — | |
| SCHEMBL6585974 | 0.65 | — | — | |
| SCHEMBL3277502 | 0.63 | — | — | |
| SCHEMBL16922258 | 0.63 | — | — | |
| SCHEMBL13153746 | 0.63 | — | — | |
| SCHEMBL6635401 | 0.63 | — | — | |
| SCHEMBL18164098 | 0.63 | — | — | |
| SCHEMBL17695708 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180015087-A1 | CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF | ARAXES PHARMA LLC | 2018-01-18 | — | — | US | disclosed |