⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18679923 | 0.89 | NPC1 (0.32) | — | |
| SCHEMBL12674805 | 0.89 | PGR (0.35) | — | |
| SCHEMBL19830406 | 0.88 | KDM4E (0.35) | — | |
| SCHEMBL12093468 | 0.88 | — | — | |
| SCHEMBL19830301 | 0.87 | L3MBTL1 (0.31) | — | |
| SCHEMBL14822266 | 0.87 | KDM4E (0.34) | — | |
| SCHEMBL12093277 | 0.87 | — | — | |
| SCHEMBL783418 | 0.86 | PGR (0.37) | — | |
| SCHEMBL14822310 | 0.86 | PGR (0.37) | — | |
| SCHEMBL12093492 | 0.86 | — | — |
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 |