⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL204747 | 0.82 | NOTUM (0.33) | — | |
| SCHEMBL204204 | 0.76 | HRH4 (0.34) | — | |
| SCHEMBL204122 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL13363910 | 0.72 | — | — | |
| SCHEMBL11456922 | 0.72 | NR4A2 (0.38) | — | |
| SCHEMBL21982932 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL14106163 | 0.70 | KIF11 (0.41) | — | |
| SCHEMBL17030761 | 0.68 | NOS1 (0.42) | — | |
| SCHEMBL22793187 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL19612178 | 0.67 | AKR1C4 (0.42) | — |
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-10647703-B2 | Inhibitors of KRAS G12C mutant proteins | ARAXES PHARMA LLC (US) | 2020-05-12 | — | — | US | disclosed |