⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20708270 | 0.56 | — | — | |
| SCHEMBL24115655 | 0.56 | HKDC1 (0.32) | — | |
| SCHEMBL15980336 | 0.55 | — | — | |
| SCHEMBL15980329 | 0.54 | PDK1 (0.31) | — | |
| SCHEMBL15980334 | 0.54 | — | — | |
| SCHEMBL24850398 | 0.54 | — | — | |
| SCHEMBL14747931 | 0.54 | HTR2A (0.36) | — | |
| SCHEMBL19339183 | 0.53 | — | — | |
| SCHEMBL13047002 | 0.53 | LMNA (0.39) | — | |
| SCHEMBL9602749 | 0.53 | KDM4E (0.41) | — |
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 |