⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12705 | 0.72 | — | — | |
| SCHEMBL13894744 | 0.70 | — | — | |
| SCHEMBL21872264 | 0.70 | — | — | |
| SCHEMBL13853947 | 0.70 | — | — | |
| SCHEMBL91599 | 0.70 | — | — | |
| SCHEMBL2216077 | 0.70 | — | — | |
| SCHEMBL9966237 | 0.70 | — | — | |
| SCHEMBL2278316 | 0.67 | HTT (0.38) | — | |
| SCHEMBL21398245 | 0.67 | — | — | |
| SCHEMBL91618 | 0.67 | AOC3 (0.32) | — |
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 |