⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31444949 | 1.00 | — | — | |
| SCHEMBL1427764 | 0.79 | — | — | |
| SCHEMBL30790426 | 0.79 | — | — | |
| SCHEMBL29987283 | 0.79 | — | — | |
| SCHEMBL2428713 | 0.79 | — | — | |
| SCHEMBL23204310 | 0.75 | — | — | |
| SCHEMBL19813955 | 0.75 | — | — | |
| SCHEMBL13186888 | 0.75 | — | — | |
| SCHEMBL1420523 | 0.75 | — | — | |
| SCHEMBL1853177 | 0.75 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2328871-B1 | HEDGEHOG PATHWAY MODULATORS | NOVARTIS AG (CH) | 2020-04-01 | — | — | EP | disclosed |
| CN-105358552-B | aryl-quinazoline | 默克专利股份公司 | 2018-04-27 | — | — | CN | disclosed |
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| US-9216964-B2 | Hedgehog pathway modulators | NOVARTIS AG (CH) | 2015-12-22 | — | — | US | disclosed |
| CN-102203067-B | Hedgehog pathway modulators | IRM LLC | 2014-01-15 | — | — | CN | disclosed |
| US-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2013-11-07 | — | — | US | disclosed |
| US-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2013-11-07 | — | — | US | disclosed |
| US-20130296333-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2013-11-07 | — | — | US | disclosed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | disclosed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | disclosed |
| US-8507491-B2 | Compounds and compositions as hedgehog pathway inhibitors | IRM LLC (BM) | 2013-08-13 | — | — | US | disclosed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | disclosed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | disclosed |
| US-20110152282-A1 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-23 | — | — | US | disclosed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | disclosed |