⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8597858 | 0.62 | — | — | |
| SCHEMBL421516 | 0.60 | — | — | |
| SCHEMBL62075 | 0.60 | — | — | |
| SCHEMBL29670700 | 0.58 | — | — | |
| SCHEMBL25209330 | 0.58 | — | — | |
| SCHEMBL28742768 | 0.58 | — | — | |
| SCHEMBL3680575 | 0.56 | — | — | |
| SCHEMBL1276340 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL31212394 | 0.56 | — | — | |
| SCHEMBL10588188 | 0.56 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1608716-B1 | PROCESS FOR THE PREPARATION OF POLY(SILYL ESTER)S, AND THEIR USES | SIGMAKALON B V (NL) | 2011-11-16 | — | — | EP | claimed |
| US-20110263605-A1 | Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2011-10-27 | — | — | US | claimed |