⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4075017 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL2037274 | 0.71 | OPRL1 (0.30) | — | |
| SCHEMBL29460874 | 0.70 | HSD11B1 (0.38) | — | |
| SCHEMBL11920690 | 0.70 | HSD11B1 (0.38) | — | |
| SCHEMBL14341395 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL20066173 | 0.67 | BDKRB1 (0.32) | — | |
| SCHEMBL11920693 | 0.67 | — | — | |
| SCHEMBL735822 | 0.66 | OPRM1 (0.47) | — | |
| SCHEMBL15167413 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL3410998 | 0.66 | HSD11B1 (0.39) | — |
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-2011075517-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |