⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8694480 | 0.63 | — | — | |
| SCHEMBL4779602 | 0.62 | — | — | |
| SCHEMBL7703514 | 0.61 | — | — | |
| SCHEMBL23273570 | 0.60 | — | — | |
| SCHEMBL6696867 | 0.59 | — | — | |
| SCHEMBL1009203 | 0.59 | — | — | |
| SCHEMBL2470905 | 0.59 | — | — | |
| SCHEMBL18705923 | 0.59 | — | — | |
| SCHEMBL699560 | 0.59 | — | — | |
| SCHEMBL4613395 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017201683-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-30 | — | — | WO | claimed |
| WO-2016183741-A1 | PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-11-24 | — | — | WO | claimed |
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |