⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19757750 | 0.92 | — | — | |
| SCHEMBL15257554 | 0.90 | MEN1 (0.34) | — | |
| SCHEMBL17985338 | 0.88 | — | — | |
| SCHEMBL15257532 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL19757799 | 0.87 | — | — | |
| SCHEMBL17985378 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL14960733 | 0.85 | — | — | |
| SCHEMBL14960735 | 0.85 | TSPO (0.31) | — | |
| SCHEMBL15257537 | 0.84 | PTGER4 (0.34) | — | |
| SCHEMBL9883234 | 0.84 | PTGER4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3250658-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2019-06-19 | — | — | EP | disclosed |
| 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 |