⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3678903 | 0.82 | TSHR (0.43) | — | |
| SCHEMBL3116666 | 0.80 | — | — | |
| SCHEMBL4664592 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL4664595 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL21065790 | 0.78 | ALOX15 (0.50) | — | |
| SCHEMBL16317273 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL18392322 | 0.76 | PPARG (0.30) | — | |
| SCHEMBL31532124 | 0.76 | PPARG (0.30) | — | |
| SCHEMBL23924259 | 0.75 | — | — | |
| SCHEMBL2443312 | 0.75 | — | — |
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-2420498-B1 | 5-substituted quinazolinone derivatives as anti-cancer agents | CELGENE CORP (US) | 2017-05-31 | — | — | EP | disclosed |