⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28550487 | 0.87 | SLC6A1 (0.45) | — | |
| SCHEMBL16909657 | 0.80 | TSHR (0.48) | — | |
| SCHEMBL28703137 | 0.77 | GABRA5 (0.31) | — | |
| SCHEMBL3101164 | 0.76 | — | — | |
| SCHEMBL14506018 | 0.76 | — | — | |
| SCHEMBL3654548 | 0.75 | — | — | |
| SCHEMBL19550951 | 0.69 | — | — | |
| SCHEMBL19551085 | 0.69 | — | — | |
| SCHEMBL1021769 | 0.69 | — | — | |
| Biphenyl SCHEMBL27408392 | 0.69 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3172211-A1 | COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2017-05-31 | — | — | EP | disclosed |
| WO-2016011930-A1 | COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2016-01-28 | — | — | WO | disclosed |
| EP-2217600-A2 | FUNGICIDAL BICYCLIC PYRAZOLES | E. I. du Pont de Nemours and Company (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009076440-A2 | FUNGICIDAL BICYCLIC PYRAZOLES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-06-18 | — | — | WO | disclosed |