⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3072304 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL3072308 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL24703458 | 0.76 | — | — | |
| SCHEMBL12937107 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8590517 | 0.75 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL7696269 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL7859326 | 0.73 | — | — | |
| SCHEMBL21914568 | 0.73 | — | — | |
| SCHEMBL19794987 | 0.73 | — | — | |
| SCHEMBL23789185 | 0.73 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203019-A1 | Piperazine Cyclic Ureas | SIRONAX (BEIJING) CO., LTD. (CN) | 2023-06-29 | — | — | US | disclosed |
| US-10689391-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | disclosed |
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| US-20190194216-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2019-06-27 | — | — | US | disclosed |
| US-10227314-B2 | Cystathionine-gamma-lyase (CSE) inhibitors | SOVA PHARMACEUTICALS, INC. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |
| US-20170327478-A1 | CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS | SOVA PHARMACEUTICALS, INC. | 2017-11-16 | — | — | US | disclosed |
| US-20080268321-A1 | Membrane-Electrode Units and Fuel Cells Having a Long Service Life | BASF FUEL CELL GMBH (DE) | 2008-10-30 | — | — | US | disclosed |