⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2473306 | 0.84 | DRD2 (0.30) | — | |
| SCHEMBL2475057 | 0.84 | ALOX15 (0.31) | — | |
| SCHEMBL2474427 | 0.83 | S1PR4 (0.30) | — | |
| SCHEMBL2474888 | 0.79 | S1PR1 (0.44) | — | |
| SCHEMBL2471469 | 0.79 | S1PR1 (0.40) | — | |
| SCHEMBL2476262 | 0.77 | S1PR1 (0.30) | — | |
| SCHEMBL2467768 | 0.76 | — | — | |
| SCHEMBL13262686 | 0.75 | S1PR1 (0.37) | — | |
| SCHEMBL13262743 | 0.73 | — | — | |
| SCHEMBL2469425 | 0.73 | PIK3CA (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110311485-A1 | 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2011-12-22 | — | — | US | disclosed |
| US-20110311485-A1 | 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2011-12-22 | — | — | US | disclosed |
| US-20110311485-A1 | 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2011-12-22 | — | — | US | disclosed |
| EP-2370431-A1 | 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | Almirall S.A. (ES) | 2011-10-05 | — | — | EP | disclosed |
| WO-2010072352-A1 | 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE | ALMIRALL S.A. (ES) | 2010-07-01 | — | — | WO | disclosed |