⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2126327 | 0.88 | PKM (0.32) | — | |
| SCHEMBL23491420 | 0.79 | UCHL1 (0.37) | — | |
| SCHEMBL3660736 | 0.78 | HDAC6 (0.35) | — | |
| SCHEMBL2122270 | 0.78 | — | — | |
| SCHEMBL3664396 | 0.74 | NOTUM (0.38) | — | |
| SCHEMBL2123005 | 0.72 | NOTUM (0.30) | — | |
| SCHEMBL28512675 | 0.71 | ACE (0.45) | — | |
| Hydrochloric Acid SCHEMBL22583118 | 0.70 | — | — | |
| SCHEMBL2122061 | 0.69 | UCHL1 (0.42) | — | |
| SCHEMBL2126330 | 0.69 | ABCB1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2222670-A1 | OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | Glaxo Group Limited (GB) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009080729-A1 | OXADIAZOLE DERIVATIVES FOR USE AS S1P1 AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |