⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21589818 | 0.92 | — | — | |
| SCHEMBL21589653 | 0.91 | NR1H4 (0.33) | — | |
| SCHEMBL21589529 | 0.90 | — | — | |
| SCHEMBL21589714 | 0.88 | — | — | |
| SCHEMBL29189042 | 0.85 | NR1H4 (0.32) | — | |
| SCHEMBL21589683 | 0.85 | NR1H4 (0.33) | — | |
| SCHEMBL29462853 | 0.85 | NR1H4 (0.33) | — | |
| SCHEMBL21589604 | 0.84 | — | — | |
| SCHEMBL21589815 | 0.83 | NR1H4 (0.35) | — | |
| SCHEMBL21589542 | 0.83 | NR1H4 (0.30) | — |
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 |