⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17705707 | 0.72 | GPR84 (0.33) | — | |
| SCHEMBL23176297 | 0.70 | HRH4 (0.33) | — | |
| SCHEMBL16841646 | 0.70 | GLP1R (0.32) | — | |
| SCHEMBL12225582 | 0.64 | GABRA1 (0.33) | — | |
| SCHEMBL24452696 | 0.62 | UGT2B7 (0.42) | — | |
| SCHEMBL24392073 | 0.61 | ADORA3 (0.32) | — | |
| SCHEMBL12141961 | 0.61 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL17705705 | 0.61 | DYRK1A (0.35) | — | |
| SCHEMBL17705709 | 0.59 | METAP2 (0.36) | — | |
| SCHEMBL11978470 | 0.59 | PAK4 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9579319-B2 | Heterocyclic compounds as hedgehog signaling pathway inhibitors | REDX PHARMA PLC (GB) | 2017-02-28 | — | — | US | disclosed |
| 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 |