⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL8722470 | 0.61 | — | — | |
| SCHEMBL4052707 | 0.59 | — | — | |
| SCHEMBL1184487 | 0.59 | — | — | |
| SCHEMBL9532653 | 0.56 | — | — | |
| SCHEMBL19100784 | 0.55 | — | — | |
| SCHEMBL5745258 | 0.55 | — | — | |
| SCHEMBL5884621 | 0.51 | — | — | |
| SCHEMBL1431147 | 0.49 | — | — | |
| SCHEMBL5984147 | 0.49 | — | — | |
| SCHEMBL936367 | 0.40 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009000819-A1 | 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2008-12-31 | — | — | WO | disclosed |