⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14842937 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL1289911 | 0.74 | — | — | |
| SCHEMBL1899759 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL4564186 | 0.73 | — | — | |
| SCHEMBL5754115 | 0.71 | — | — | |
| SCHEMBL561117 | 0.71 | — | — | |
| SCHEMBL444666 | 0.71 | — | — | |
| SCHEMBL8632835 | 0.69 | — | — | |
| SCHEMBL22988 | 0.69 | — | — | |
| SCHEMBL1525991 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134695-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | Exelixis, Inc. (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008112913-A1 | INHIBITORS OF THE HEDGEHOG PATHWAY | EXELIXIS, INC. (US) | 2008-09-18 | — | — | WO | disclosed |
| CN-1038939-C | Peptide compounds and process for preparing same | FUJISAWA PHARMACEUTICAL CO (JP) | 1998-07-01 | — | — | CN | disclosed |
| US-5344753-A | Colorimetric analysis, reaction of coupler with pyrazole ring with oxidized substrate to form dye | EASTMAN KODAK COMPANY (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0573100-A1 | Dry analytical element and method for the detection of an aminopeptidase or transpeptidase | Johnson & Johnson Clinical Diagnostics, Inc. (US) | 1993-12-08 | — | — | EP | disclosed |
| CN-1060848-A | Peptide compounds, process for preparing same and pharmaceutical compositions containing same | FUJISAWA PHARMACEUTICAL CO (JP) | 1992-05-06 | — | — | CN | disclosed |