⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2397649 | 0.78 | CYP2C19 (0.40) | — | |
| SCHEMBL19504379 | 0.75 | CYP2C19 (0.38) | — | |
| SCHEMBL20207700 | 0.75 | — | — | |
| SCHEMBL171430 | 0.75 | — | — | |
| SCHEMBL20285569 | 0.73 | — | — | |
| SCHEMBL4268125 | 0.73 | — | — | |
| SCHEMBL21214230 | 0.73 | — | — | |
| SCHEMBL21794182 | 0.73 | — | — | |
| SCHEMBL2600181 | 0.73 | HRH4 (0.34) | — | |
| SCHEMBL13649902 | 0.73 | CYP2C19 (0.36) | — |
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 |