⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18518736 | 0.91 | KDM4E (0.33) | — | |
| SCHEMBL18518071 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL18518909 | 0.91 | L3MBTL1 (0.33) | — | |
| SCHEMBL20465279 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL21916760 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL18518752 | 0.90 | ATM (0.31) | — | |
| SCHEMBL18518821 | 0.89 | ATM (0.32) | — | |
| SCHEMBL21938455 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL18518816 | 0.89 | KDM4E (0.33) | — | |
| SCHEMBL18518912 | 0.89 | CYP11B1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3335254-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-04-08 | — | — | EP | disclosed |
| WO-2017025164-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | WO | disclosed |