⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19774400 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL19417149 | 0.88 | L3MBTL1 (0.39) | — | |
| SCHEMBL24696287 | 0.87 | — | — | |
| SCHEMBL18560844 | 0.87 | ABCG2 (0.32) | — | |
| SCHEMBL19486904 | 0.86 | MAPT (0.33) | — | |
| SCHEMBL26628043 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL19311805 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL27407341 | 0.86 | ATM (0.38) | — | |
| SCHEMBL26058678 | 0.86 | MEN1 (0.30) | — | |
| SCHEMBL14235019 | 0.85 | KDM4E (0.35) | — |
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-2011057706-A2 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2011-05-19 | — | — | WO | disclosed |