⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15120327 | 0.86 | PRMT3 (0.32) | — | |
| SCHEMBL13589014 | 0.79 | — | — | |
| SCHEMBL12901250 | 0.78 | CYP2C9 (0.32) | — | |
| SCHEMBL14578314 | 0.73 | PRMT3 (0.40) | — | |
| SCHEMBL17717507 | 0.73 | — | — | |
| SCHEMBL12660310 | 0.73 | — | — | |
| SCHEMBL7193560 | 0.71 | — | — | |
| SCHEMBL24049334 | 0.71 | — | — | |
| SCHEMBL2733533 | 0.71 | — | — | |
| SCHEMBL12901249 | 0.71 | PRMT3 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3277286-B1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARM INC (US) | 2021-04-21 | — | — | EP | disclosed |
| US-20120183564-A1 | INHIBITION OF ENDOSOMAL TOLL-LIKE RECEPTOR ACTIVATION | DUKE UNIVERSITY | 2012-07-19 | — | — | US | disclosed |