⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20090959 | 0.74 | — | — | |
| SCHEMBL29928493 | 0.71 | — | — | |
| SCHEMBL12209614 | 0.70 | — | — | |
| SCHEMBL8266984 | 0.70 | — | — | |
| SCHEMBL18597355 | 0.69 | — | — | |
| SCHEMBL13770413 | 0.67 | — | — | |
| SCHEMBL14302868 | 0.65 | — | — | |
| SCHEMBL17151765 | 0.65 | — | — | |
| SCHEMBL15039583 | 0.65 | — | — | |
| SCHEMBL19575608 | 0.64 | — | — |
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-2914586-B1 | BRUTON'S TYROSINE KINASE INHIBITORS | PFIZER (US) | 2017-04-05 | — | — | EP | disclosed |
| WO-2013018804-A1 | URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | 大日本住友製薬株式会社 (JP) | 2013-02-07 | — | — | WO | disclosed |