⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18587349 | 0.74 | — | — | |
| SCHEMBL25583783 | 0.70 | — | — | |
| SCHEMBL25583784 | 0.70 | — | — | |
| SCHEMBL23196784 | 0.68 | — | — | |
| SCHEMBL21936749 | 0.68 | — | — | |
| SCHEMBL15192047 | 0.68 | — | — | |
| SCHEMBL90095 | 0.67 | — | — | |
| SCHEMBL15177092 | 0.67 | OPRM1 (0.40) | — | |
| SCHEMBL16486341 | 0.67 | NEK2 (0.32) | — | |
| SCHEMBL20340969 | 0.65 | — | — |
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 |