⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17705711 | 0.84 | IDH1 (0.33) | — | |
| SCHEMBL8737133 | 0.76 | GAA (0.43) | — | |
| SCHEMBL17229745 | 0.69 | HCAR2 (0.46) | — | |
| SCHEMBL24925955 | 0.68 | — | — | |
| SCHEMBL19297119 | 0.63 | GABRA1 (0.33) | — | |
| SCHEMBL9606752 | 0.63 | KDM4E (0.41) | — | |
| SCHEMBL12147353 | 0.61 | — | — | |
| SCHEMBL8736919 | 0.61 | KDM4E (0.33) | — | |
| SCHEMBL8736962 | 0.59 | — | — | |
| SCHEMBL19655626 | 0.56 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9579319-B2 | Heterocyclic compounds as hedgehog signaling pathway inhibitors | REDX PHARMA PLC (GB) | 2017-02-28 | — | — | US | disclosed |
| US-20160113928-A1 | HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS | REDX PHARMA PLC (GB) | 2016-04-28 | — | — | US | disclosed |
| US-8809318-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2014-08-19 | — | — | US | disclosed |
| US-8759337-B2 | Gamma secretase modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20120135980-A1 | GAMMA SECRETASE MODULATORS | SCHERING CORPORATION | 2012-05-31 | — | — | US | disclosed |
| US-20110306593-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110294784-A1 | GAMMA SECRETASE MODULATORS | MERCK SHARP & DOHME LLC | 2011-12-01 | — | — | US | disclosed |