⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2707889 | 0.82 | S1PR5 (0.43) | — | |
| Hydrochloric Acid SCHEMBL22465761 | 0.81 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4270153 | 0.79 | S1PR5 (0.46) | — | |
| SCHEMBL4759542 | 0.79 | ALDH1A1 (0.50) | — | |
| SCHEMBL884032 | 0.78 | S1PR5 (0.42) | — | |
| SCHEMBL2705521 | 0.76 | L3MBTL1 (0.42) | — | |
| SCHEMBL3415496 | 0.75 | — | — | |
| SCHEMBL1362777 | 0.75 | — | — | |
| SCHEMBL1362666 | 0.75 | S1PR5 (0.40) | — | |
| Hydrochloric Acid SCHEMBL3982674 | 0.75 | L3MBTL1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595969-B1 | Substituted 3-phenyl-1,2,4-oxadiazole compounds | BRISTOL MYERS SQUIBB CO (US) | 2015-04-22 | — | — | EP | disclosed |
| WO-2012012477-A1 | SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | WO | disclosed |