⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13138716 | 0.84 | APP (0.31) | — | |
| SCHEMBL19788958 | 0.79 | PAOX (0.38) | — | |
| SCHEMBL9640863 | 0.79 | CHRM2 (0.33) | — | |
| SCHEMBL13138707 | 0.79 | CHRM2 (0.34) | — | |
| SCHEMBL13138701 | 0.77 | CHRM2 (0.38) | — | |
| SCHEMBL20197088 | 0.75 | CHRM2 (0.31) | — | |
| SCHEMBL17988174 | 0.74 | CHRM2 (0.41) | — | |
| SCHEMBL21306787 | 0.73 | GABRR1 (0.33) | — | |
| SCHEMBL20383829 | 0.72 | GABRR1 (0.31) | — | |
| SCHEMBL22458350 | 0.71 | MMP1 (0.38) | — |
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-9872495-B2 | Peptoid oligomers, pharmaceutical compositions and methods of using the same | NEW YORK UNIVERSITY (US) | 2018-01-23 | — | — | US | disclosed |