⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18588897 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL4925835 | 0.86 | HCAR2 (0.33) | — | |
| SCHEMBL1128852 | 0.79 | CHEK1 (0.40) | — | |
| SCHEMBL3255707 | 0.78 | LMNA (0.40) | — | |
| SCHEMBL9918631 | 0.76 | CCR4 (0.44) | — | |
| SCHEMBL4922463 | 0.76 | — | — | |
| SCHEMBL4932404 | 0.76 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL13111766 | 0.75 | — | — | |
| SCHEMBL15680396 | 0.72 | GABRA1 (0.32) | — | |
| SCHEMBL6433606 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-20080076774-A1 | Kinase Modulators and Methods of Use | EXELIXIS, INC. (US) | 2008-03-27 | — | — | US | disclosed |
| EP-1750727-A2 | KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005117909-A2 | KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |