⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13960106 | 1.00 | — | — | |
| SCHEMBL14409888 | 1.00 | — | — | |
| SCHEMBL17791238 | 0.85 | — | — | |
| SCHEMBL12071469 | 0.85 | — | — | |
| SCHEMBL20390813 | 0.84 | — | — | |
| SCHEMBL25622693 | 0.80 | MGLL (0.34) | — | |
| SCHEMBL23936857 | 0.74 | — | — | |
| SCHEMBL29752582 | 0.74 | ACHE (0.46) | — | |
| SCHEMBL1776811 | 0.71 | — | — | |
| SCHEMBL13014856 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017147159-A1 | DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| WO-2016086134-A1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2016-06-02 | — | — | WO | disclosed |
| WO-2016086169-A1 | BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2016-06-02 | — | — | WO | disclosed |
| WO-2016086218-A1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2016-06-02 | — | — | WO | disclosed |