⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12703117 | 0.88 | — | — | |
| SCHEMBL13624461 | 0.81 | — | — | |
| SCHEMBL12703573 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL12703262 | 0.80 | — | — | |
| SCHEMBL12703308 | 0.78 | — | — | |
| SCHEMBL12703127 | 0.78 | — | — | |
| SCHEMBL20881015 | 0.76 | — | — | |
| SCHEMBL12703287 | 0.75 | ADORA1 (0.30) | — | |
| SCHEMBL20881051 | 0.74 | — | — | |
| SCHEMBL12703246 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2009141026-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH, (DE) | 2009-11-26 | — | — | WO | disclosed |