⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830042 | 0.80 | — | — | |
| SCHEMBL18642254 | 0.79 | CES2 (0.31) | — | |
| SCHEMBL1806496 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL6312251 | 0.75 | — | — | |
| SCHEMBL17112788 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL19610354 | 0.75 | TUBB4A (0.34) | — | |
| SCHEMBL42894 | 0.74 | — | — | |
| SCHEMBL30262354 | 0.73 | CA2 (0.37) | — | |
| SCHEMBL29281141 | 0.73 | CA2 (0.37) | — | |
| SCHEMBL16053489 | 0.73 | C5AR1 (0.30) | — |
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-2414341-B1 | OXADIAZOLE DERIVATIVES | MERCK SERONO SA (CH) | 2017-09-13 | — | — | EP | disclosed |
| US-8815919-B2 | Oxadiazole derivatives | MERCK SERONO SA (CH) | 2014-08-26 | — | — | US | disclosed |
| EP-2414341-A2 | OXADIAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-02-08 | — | — | EP | disclosed |
| US-20120022109-A1 | OXADIAZOLE DERIVATIVES | MERCK SERONO SA (CH) | 2012-01-26 | — | — | US | disclosed |
| WO-2010115751-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |