⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19066498 | 0.87 | SIRT2 (0.36) | — | |
| SCHEMBL28008290 | 0.82 | TSHR (0.47) | — | |
| SCHEMBL12346125 | 0.81 | KMT2A (0.35) | — | |
| SCHEMBL3566912 | 0.80 | KMT2A (0.36) | — | |
| SCHEMBL2807710 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL19449959 | 0.78 | OPRM1 (0.38) | — | |
| SCHEMBL15300376 | 0.78 | SLC6A4 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL27517072 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL11236740 | 0.77 | — | — | |
| SCHEMBL21422491 | 0.76 | SIRT2 (0.39) | — |
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-3526207-B1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LTD (GB) | 2021-09-08 | — | — | EP | disclosed |
| WO-2018069732-A1 | HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. | HEPTARES THERAPEUTICS LIMITED (GB) | 2018-04-19 | — | — | WO | disclosed |