⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL489670 | 0.86 | NMT1 (0.38) | — | |
| SCHEMBL30457306 | 0.74 | FPR2 (0.35) | — | |
| SCHEMBL14463701 | 0.71 | NMT1 (0.38) | — | |
| SCHEMBL347771 | 0.68 | TSHR (0.44) | — | |
| SCHEMBL14443237 | 0.67 | NMT1 (0.36) | — | |
| SCHEMBL30456400 | 0.63 | NLRP3 (0.34) | — | |
| SCHEMBL388129 | 0.63 | L3MBTL1 (0.43) | — | |
| SCHEMBL8762829 | 0.62 | PROKR1 (0.45) | — | |
| SCHEMBL30456633 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL30456594 | 0.59 | KMT2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230183237-A1 | COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 | VANDERBILT UNIVERSITY | 2023-06-15 | — | — | US | disclosed |