⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8132306 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL7029103 | 0.71 | — | — | |
| SCHEMBL1244329 | 0.71 | — | — | |
| SCHEMBL1809188 | 0.71 | — | — | |
| SCHEMBL789952 | 0.71 | — | — | |
| SCHEMBL4276755 | 0.70 | KCNH2 (0.52) | — | |
| SCHEMBL4051693 | 0.69 | NOS2 (0.38) | — | |
| SCHEMBL5264341 | 0.68 | — | — | |
| SCHEMBL1812282 | 0.68 | — | — | |
| SCHEMBL125524 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010039922-A1 | CALCILYTIC COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-04-08 | — | — | WO | claimed |
| WO-2010039922-A1 | CALCILYTIC COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-04-08 | — | — | WO | disclosed |
| US-20100022559-A1 | BISOXIMES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-01-28 | — | — | US | disclosed |