⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21208806 | 0.69 | — | — | |
| SCHEMBL21208798 | 0.65 | — | — | |
| SCHEMBL21806071 | 0.65 | PIK3CA (0.31) | — | |
| SCHEMBL23809729 | 0.58 | — | — | |
| SCHEMBL14262994 | 0.57 | — | — | |
| SCHEMBL31234410 | 0.56 | — | — | |
| SCHEMBL19110540 | 0.56 | TAAR1 (0.43) | — | |
| SCHEMBL2186233 | 0.56 | HPGD (0.35) | — | |
| SCHEMBL2388971 | 0.56 | — | — | |
| Methyl Alcohol SCHEMBL28114123 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3852736-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | Metacrine, Inc. (US) | 2021-07-28 | — | — | EP | disclosed |
| WO-2020061118-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| WO-2020061117-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| WO-2020061116-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. (US) | 2020-03-26 | — | — | WO | disclosed |