⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL774759 | 1.00 | — | — | |
| SCHEMBL1014827 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL1014826 | 0.87 | MEN1 (0.31) | — | |
| SCHEMBL25373049 | 0.84 | CES2 (0.43) | — | |
| SCHEMBL16246940 | 0.84 | CES2 (0.38) | — | |
| SCHEMBL16246942 | 0.84 | CES2 (0.38) | — | |
| SCHEMBL21960394 | 0.82 | RECQL (0.39) | — | |
| SCHEMBL25552065 | 0.79 | PIK3CD (0.34) | — | |
| SCHEMBL25374871 | 0.73 | HSD17B10 (0.37) | — | |
| SCHEMBL4517263 | 0.72 | CES2 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2440554-B1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2016-10-05 | — | — | EP | disclosed |
| US-8802663-B2 | Pyrazole oxadiazole derivatives as S1P1 agonists | MERCK SERONO SA (CH) | 2014-08-12 | — | — | US | disclosed |
| EP-2440554-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | Merck Serono S.A. (CH) | 2012-04-18 | — | — | EP | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| WO-2010142628-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO S.A. (CH) | 2010-12-16 | — | — | WO | disclosed |