⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19757761 | 0.96 | — | — | |
| SCHEMBL17985389 | 0.96 | — | — | |
| SCHEMBL19757746 | 0.94 | — | — | |
| SCHEMBL802684 | 0.94 | KDM1A (0.30) | — | |
| SCHEMBL17985383 | 0.94 | KDM1A (0.30) | — | |
| SCHEMBL19757752 | 0.93 | — | — | |
| SCHEMBL19757748 | 0.93 | — | — | |
| SCHEMBL19757764 | 0.92 | — | — | |
| SCHEMBL19757754 | 0.92 | — | — | |
| SCHEMBL17985159 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180006237-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-01-04 | — | — | US | disclosed |
| WO-2016119992-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2016-08-04 | — | — | WO | disclosed |