⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14651113 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL14514253 | 0.73 | GABRR1 (0.41) | — | |
| SCHEMBL13106755 | 0.69 | APLNR (0.36) | — | |
| SCHEMBL10202903 | 0.67 | — | — | |
| SCHEMBL13041171 | 0.66 | MEN1 (0.42) | — | |
| SCHEMBL13671200 | 0.66 | MEN1 (0.42) | — | |
| SCHEMBL14539223 | 0.65 | NR1H2 (0.43) | — | |
| SCHEMBL13041182 | 0.64 | BACE1 (0.38) | — | |
| SCHEMBL12879228 | 0.62 | LMNA (0.43) | — | |
| SCHEMBL10202928 | 0.60 | GABRR1 (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-8772450-B2 | Beta-amino acids | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2014-07-08 | — | — | US | disclosed |