⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21828606 | 1.00 | — | — | |
| SCHEMBL9934183 | 1.00 | — | — | |
| SCHEMBL23149387 | 1.00 | — | — | |
| SCHEMBL16053196 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL3061976 | 0.82 | KDM4E (0.31) | — | |
| SCHEMBL903929 | 0.80 | NR1H2 (0.46) | — | |
| SCHEMBL10067585 | 0.80 | NR1H2 (0.46) | — | |
| SCHEMBL9963036 | 0.80 | NR1H2 (0.46) | — | |
| SCHEMBL29801823 | 0.80 | NR1H2 (0.46) | — | |
| SCHEMBL3572340 | 0.79 | — | — |
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-4028401-B1 | 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2023-11-22 | — | — | EP | disclosed |
| US-20210094971-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2021-04-01 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |