⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6081600 | 0.80 | — | — | |
| SCHEMBL13886301 | 0.77 | GPR84 (0.32) | — | |
| SCHEMBL12944785 | 0.73 | — | — | |
| SCHEMBL789368 | 0.69 | — | — | |
| SCHEMBL5310113 | 0.69 | — | — | |
| SCHEMBL14607879 | 0.69 | — | — | |
| SCHEMBL9641073 | 0.67 | — | — | |
| SCHEMBL4443182 | 0.65 | CES2 (0.30) | — | |
| Butyric Acid SCHEMBL28967767 | 0.65 | — | — | |
| Butyric Acid SCHEMBL28082071 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1322597-B1 | PROCESS AND INTERMEDIATES | GLAXOSMITHKLINE LLC (US) | 2012-04-25 | — | — | EP | disclosed |