⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18294168 | 0.95 | — | — | |
| SCHEMBL10052474 | 0.91 | — | — | |
| SCHEMBL12324880 | 0.89 | — | — | |
| SCHEMBL22694299 | 0.87 | — | — | |
| SCHEMBL19445066 | 0.86 | — | — | |
| SCHEMBL20419962 | 0.85 | MLNR (0.31) | — | |
| SCHEMBL1687562 | 0.85 | MLNR (0.31) | — | |
| SCHEMBL14308890 | 0.84 | — | — | |
| SCHEMBL354678 | 0.84 | — | — | |
| SCHEMBL11914332 | 0.83 | KDM4E (0.33) | — |
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-2011054442-A2 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |