⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25391442 | 0.80 | CCR1 (0.32) | — | |
| SCHEMBL27101 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28246176 | 0.78 | — | — | |
| Water SCHEMBL10389199 | 0.78 | — | — | |
| SCHEMBL29836493 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL15059929 | 0.76 | — | — | |
| Formamide SCHEMBL450424 | 0.69 | — | — | |
| SCHEMBL29167167 | 0.69 | — | — | |
| SCHEMBL25390606 | 0.66 | LMNA (0.34) | — | |
| SCHEMBL3026407 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115667273-A | Competitive and non-competitive inhibitors of muscarinic acetylcholine receptor M5 | 范德堡大学 | 2023-01-31 | — | — | CN | disclosed |