⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11594582 | 0.69 | — | — | |
| SCHEMBL13069310 | 0.69 | — | — | |
| SCHEMBL11593706 | 0.65 | — | — | |
| SCHEMBL24892997 | 0.63 | — | — | |
| SCHEMBL11918101 | 0.62 | — | — | |
| SCHEMBL23912449 | 0.60 | — | — | |
| SCHEMBL15786271 | 0.59 | — | — | |
| SCHEMBL15829205 | 0.56 | — | — | |
| SCHEMBL15492610 | 0.56 | — | — | |
| SCHEMBL16263257 | 0.52 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016049565-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | ARAXES PHARMA LLC (US) | 2016-03-31 | — | — | WO | disclosed |
| WO-2014152588-A1 | COVALENT INHIBITORS OF KRAS G12C | ARAXES PHARMA LLC (US) | 2014-09-25 | — | — | WO | disclosed |