⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL803044 | 0.86 | PDK2 (0.38) | — | |
| SCHEMBL26141696 | 0.83 | — | — | |
| SCHEMBL12990488 | 0.83 | — | — | |
| SCHEMBL21183003 | 0.81 | HTR6 (0.31) | — | |
| SCHEMBL12117351 | 0.81 | PDK2 (0.42) | — | |
| SCHEMBL22448041 | 0.81 | — | — | |
| SCHEMBL21183094 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL2788060 | 0.80 | — | — | |
| SCHEMBL19380805 | 0.80 | — | — | |
| SCHEMBL10039124 | 0.80 | — | — |
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-2010136109-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |