⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL398108 | 0.74 | — | — | |
| SCHEMBL737450 | 0.69 | CYP1A2 (0.35) | — | |
| SCHEMBL16589583 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL23764033 | 0.69 | GRIN2D (0.33) | — | |
| SCHEMBL5945963 | 0.67 | — | — | |
| SCHEMBL25103634 | 0.67 | — | — | |
| SCHEMBL16828905 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL14222413 | 0.67 | — | — | |
| SCHEMBL19619590 | 0.67 | — | — | |
| SCHEMBL14222482 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957461-B1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | GENENTECH INC (US) | 2016-11-02 | — | — | EP | disclosed |
| US-8101610-B2 | Blocking signals; anticancer agents | GENENTECH, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20080269215-A1 | Bisamide Inhibitors of Hedgehog Signaling | GENENTECH INC. (US) | 2008-10-30 | — | — | US | disclosed |
| EP-1957461-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | Genentech, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007059157-A1 | BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING | GENENTECH, INC. (US) | 2007-05-24 | — | — | WO | disclosed |