⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20132921 | 0.84 | ROCK2 (0.33) | — | |
| SCHEMBL19104234 | 0.80 | ERBB2 (0.34) | — | |
| SCHEMBL19104231 | 0.71 | MAPK1 (0.32) | — | |
| SCHEMBL19104288 | 0.70 | MAP2K4 (0.35) | — | |
| SCHEMBL23879998 | 0.69 | ROCK1 (0.34) | — | |
| SCHEMBL22328054 | 0.68 | FFAR1 (0.33) | — | |
| SCHEMBL19115758 | 0.67 | MAP2K1 (0.38) | — | |
| SCHEMBL22924136 | 0.67 | NR3C2 (0.37) | — | |
| SCHEMBL17833922 | 0.65 | MAPK1 (0.35) | — | |
| SCHEMBL22328045 | 0.63 | ADRA2A (0.35) | — |
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 |