⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21344300 | 0.86 | MEN1 (0.34) | — | |
| SCHEMBL21343395 | 0.86 | MEN1 (0.34) | — | |
| SCHEMBL21343401 | 0.81 | MEN1 (0.37) | — | |
| SCHEMBL21343400 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL21349996 | 0.78 | — | — | |
| SCHEMBL21785259 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL21350339 | 0.76 | CDC14B (0.32) | — | |
| SCHEMBL20927646 | 0.73 | CDC14B (0.35) | — | |
| SCHEMBL20927647 | 0.73 | NPC1 (0.36) | — | |
| SCHEMBL20927668 | 0.73 | AHR (0.37) | — |
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-2019170572-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2019-09-12 | — | — | WO | disclosed |