⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12442957 | 0.84 | — | — | |
| SCHEMBL17248029 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL801269 | 0.80 | NPC1 (0.32) | — | |
| SCHEMBL13047007 | 0.77 | — | — | |
| SCHEMBL13045609 | 0.76 | — | — | |
| SCHEMBL4455920 | 0.71 | NPC1 (0.36) | — | |
| SCHEMBL10049699 | 0.71 | — | — | |
| SCHEMBL13045720 | 0.71 | — | — | |
| SCHEMBL13046526 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL801249 | 0.70 | CNR1 (0.34) | — |
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-20120097938-A1 | POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS | MERCK PATENT GMBH (DE) | 2012-04-26 | — | — | US | disclosed |