⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18707309 | 0.79 | SIRT2 (0.33) | — | |
| SCHEMBL10178235 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL15042435 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL13017847 | 0.76 | SIRT2 (0.38) | — | |
| SCHEMBL112554 | 0.74 | — | — | |
| SCHEMBL6570244 | 0.74 | SIRT2 (0.44) | — | |
| SCHEMBL15043702 | 0.73 | GRIN1 (0.36) | — | |
| SCHEMBL15043641 | 0.73 | GRIN1 (0.36) | — | |
| SCHEMBL3539164 | 0.73 | GRIN1 (0.36) | — | |
| SCHEMBL24166183 | 0.73 | — | — |
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-20120035065-A1 | Aptamer Regulated Nucleic Acids and Uses Thereof | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-02-09 | — | — | US | disclosed |