⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12139935 | 0.75 | — | — | |
| SCHEMBL11233487 | 0.73 | — | — | |
| SCHEMBL5943350 | 0.73 | — | — | |
| SCHEMBL11410083 | 0.73 | — | — | |
| SCHEMBL16022795 | 0.73 | — | — | |
| SCHEMBL14956714 | 0.71 | — | — | |
| SCHEMBL20643350 | 0.71 | — | — | |
| SCHEMBL7114192 | 0.71 | — | — | |
| SCHEMBL20078669 | 0.69 | — | — | |
| SCHEMBL20656671 | 0.69 | — | — |
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-2022129953-A1 | SARS-COV-2 MPRO INHIBITOR COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-06-23 | — | — | WO | disclosed |
| WO-2020234726-A1 | COMBINATIONS COMPRISING BENZODIOXOL AS GLP-1R AGONISTS FOR USE IN THE TREATMENT OF NASH/NAFLD AND RELATED DISEASES | PFIZER INC. (US) | 2020-11-26 | — | — | WO | disclosed |
| JP-2009256305-A | METHOD FOR PRODUCING FLUOROCARBOXYLIC ACID ESTER | DAIKIN IND LTD | 2009-11-05 | — | — | JP | disclosed |