⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4412046 | 0.81 | — | — | |
| SCHEMBL4408995 | 0.77 | — | — | |
| SCHEMBL4409093 | 0.75 | — | — | |
| SCHEMBL4405229 | 0.72 | — | — | |
| SCHEMBL4407007 | 0.71 | — | — | |
| SCHEMBL4408958 | 0.71 | — | — | |
| SCHEMBL4404207 | 0.70 | — | — | |
| SCHEMBL24177119 | 0.69 | POLB (0.31) | — | |
| SCHEMBL4404994 | 0.67 | GABRB3 (0.32) | — | |
| SCHEMBL4409247 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016019233-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-02-04 | — | — | WO | disclosed |
| US-20160031891-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC | 2016-02-04 | — | — | US | disclosed |
| EP-1859782-B1 | Composition for coloring and/or lightening human hair comprising tetrazoles | HENKEL AG & CO KGAA (DE) | 2009-12-30 | — | — | EP | disclosed |
| EP-1859782-A1 | Composition for coloring and/or lightening human hair comprising tetrazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |