⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14947698 | 0.85 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL14947699 | 0.59 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL6631181 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL7376358 | 0.51 | ALDH1A1 (0.33) | — | |
| SCHEMBL14395629 | 0.50 | ALDH1A1 (0.32) | — | |
| SCHEMBL14947700 | 0.50 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL10885664 | 0.49 | HRH3 (0.41) | — | |
| SCHEMBL964130 | 0.49 | KDM4E (0.45) | — | |
| SCHEMBL2632907 | 0.48 | — | — | |
| SCHEMBL13116799 | 0.48 | — | — |
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-2013071232-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF TBL-1 BINDING TO DISEASE-ASSOCIATED MOLECULES | BETA CAT PHARMACEUTICALS, LLC (US) | 2013-05-16 | — | — | WO | disclosed |
| US-20130123281-A1 | Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules | BETA CAT PHARMACEUTICALS, LLC (US) | 2013-05-16 | — | — | US | disclosed |
| US-20130123281-A1 | Compositions and Methods for Inhibition of TBL-1 Binding to Disease-Associated Molecules | BETA CAT PHARMACEUTICALS, LLC (US) | 2013-05-16 | — | — | US | disclosed |