⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4060663 | 0.71 | — | — | |
| SCHEMBL3979553 | 0.64 | — | — | |
| SCHEMBL6427886 | 0.51 | — | — | |
| SCHEMBL15566277 | 0.51 | — | — | |
| SCHEMBL28358468 | 0.49 | — | — | |
| SCHEMBL22283006 | 0.46 | — | — | |
| SCHEMBL30385858 | 0.46 | — | — | |
| SCHEMBL16792521 | 0.45 | — | — | |
| SCHEMBL27398962 | 0.45 | — | — | |
| SCHEMBL10921518 | 0.44 | — | — |
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-10323060-B2 | Benzoic acid derivatives of bile acid as FXR/TGR5 agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-06-18 | — | — | US | disclosed |
| WO-2017147137-A1 | BENZOIC ACID DERIVATIVES OF BILE ACID AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20170240586-A1 | Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-08-24 | — | — | US | disclosed |