⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18854872 | 0.70 | — | — | |
| SCHEMBL20060111 | 0.70 | — | — | |
| SCHEMBL27470931 | 0.63 | — | — | |
| SCHEMBL9965236 | 0.57 | — | — | |
| SCHEMBL20373199 | 0.56 | — | — | |
| SCHEMBL8310549 | 0.56 | — | — | |
| SCHEMBL17506497 | 0.55 | — | — | |
| SCHEMBL14708970 | 0.54 | — | — | |
| SCHEMBL19519180 | 0.54 | CYP3A4 (0.34) | — | |
| SCHEMBL13772404 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2627178-B1 | QUINAZOLINONE-TYPE COMPOUNDS AS CRTH2 ANTAGONISTS | MERCK SHARP & DOHME (US) | 2018-05-02 | — | — | EP | disclosed |