⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15743726 | 1.00 | — | — | |
| SCHEMBL6628886 | 1.00 | — | — | |
| SCHEMBL20016966 | 1.00 | — | — | |
| SCHEMBL31737638 | 1.00 | — | — | |
| SCHEMBL16217602 | 0.79 | — | — | |
| SCHEMBL16664447 | 0.79 | GAA (0.33) | — | |
| SCHEMBL6630802 | 0.79 | GAA (0.33) | — | |
| SCHEMBL22834149 | 0.79 | — | — | |
| SCHEMBL24789390 | 0.78 | — | — | |
| SCHEMBL14395729 | 0.78 | — | — |
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-2019150305-A1 | SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2019-08-08 | — | — | WO | disclosed |