⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30001352 | 0.85 | — | — | |
| SCHEMBL1873340 | 0.85 | PPM1D (0.30) | — | |
| SCHEMBL5790125 | 0.85 | PPM1D (0.30) | — | |
| SCHEMBL1870027 | 0.85 | PPM1D (0.30) | — | |
| SCHEMBL24747047 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL658526 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL7660445 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL27225735 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL659773 | 0.79 | PPM1D (0.34) | — | |
| SCHEMBL29079601 | 0.79 | — | — |
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-2473049-A1 | BRUTON'S TYROSINE KINASE INHIBITORS | Biogen Idec MA Inc. (US) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011029046-A1 | BRUTON'S TYROSINE KINASE INHIBITORS | BIOGEN IDEC MA INC. (US) | 2011-03-10 | — | — | WO | disclosed |