⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13045716 | 0.86 | CNR2 (0.37) | — | |
| SCHEMBL12443895 | 0.85 | — | — | |
| SCHEMBL13047010 | 0.82 | — | — | |
| SCHEMBL13648569 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL30574290 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL13688229 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL13648538 | 0.79 | CNR1 (0.33) | — | |
| SCHEMBL13648571 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL425510 | 0.79 | CNR1 (0.32) | — | |
| SCHEMBL13648558 | 0.79 | CNR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010149261-A1 | POLYMERS CONTAINING STRUCTURAL UNITS THAT COMPRISE ALKYL ALKOXY GROUPS, BLENDS CONTAINING SAID POLYMERS, AND OPTOELECTRONIC DEVICES CONTAINING SAID POLYMERS AND BLENDS | MERCK PATENT GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |