⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8910466 | 1.00 | — | — | |
| SCHEMBL20282958 | 1.00 | — | — | |
| SCHEMBL2902379 | 0.84 | — | — | |
| SCHEMBL2237799 | 0.82 | — | — | |
| SCHEMBL16142831 | 0.82 | — | — | |
| SCHEMBL26694738 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1409661 | 0.79 | DPP4 (0.35) | — | |
| SCHEMBL24954889 | 0.76 | — | — | |
| SCHEMBL20690906 | 0.74 | AGL (0.34) | — | |
| SCHEMBL8331861 | 0.72 | AGL (0.48) | — |
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-2022132686-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | MERCK SHARP & DOHME CORP. (US) | 2022-06-23 | — | — | WO | disclosed |
| US-10689368-B2 | Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-06-23 | — | — | US | disclosed |
| EP-3102568-B1 | BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. | HEPTARES THERAPEUTICS LTD (GB) | 2018-06-27 | — | — | EP | disclosed |