⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21589722 | 0.89 | USP2 (0.30) | — | |
| SCHEMBL21589858 | 0.87 | — | — | |
| SCHEMBL21589799 | 0.85 | LTB4R2 (0.33) | — | |
| SCHEMBL21589646 | 0.85 | DRD2 (0.31) | — | |
| SCHEMBL22336210 | 0.84 | CYP2C19 (0.33) | — | |
| SCHEMBL21589695 | 0.84 | SLC10A2 (0.34) | — | |
| SCHEMBL21589770 | 0.84 | SLC10A2 (0.34) | — | |
| SCHEMBL21589694 | 0.84 | SLC10A2 (0.34) | — | |
| SCHEMBL22476189 | 0.84 | NR1H4 (0.32) | — | |
| SCHEMBL29462827 | 0.84 | SLC10A2 (0.34) | — |
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-3802504-B1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | ALBIREO AB (SE) | 2023-01-18 | — | — | EP | disclosed |
| WO-2019234077-A1 | BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS | ALBIREO AB (SE) | 2019-12-12 | — | — | WO | disclosed |