⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12650062 | 0.93 | — | — | |
| SCHEMBL12602798 | 0.88 | — | — | |
| SCHEMBL12602801 | 0.88 | — | — | |
| SCHEMBL12602794 | 0.88 | — | — | |
| SCHEMBL12602790 | 0.87 | — | — | |
| SCHEMBL12602793 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL12602788 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL12602797 | 0.85 | — | — | |
| SCHEMBL12602711 | 0.84 | — | — | |
| SCHEMBL12015475 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120292576-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2012-11-22 | — | — | US | disclosed |