⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17985338 | 0.99 | — | — | |
| SCHEMBL15490814 | 0.94 | PDE10A (0.32) | — | |
| SCHEMBL15257554 | 0.94 | MEN1 (0.34) | — | |
| SCHEMBL15805990 | 0.93 | PDE10A (0.32) | — | |
| SCHEMBL14960735 | 0.93 | TSPO (0.31) | — | |
| SCHEMBL17985369 | 0.91 | — | — | |
| SCHEMBL15197828 | 0.91 | PTGER4 (0.34) | — | |
| SCHEMBL18505535 | 0.91 | PDE10A (0.32) | — | |
| SCHEMBL14886357 | 0.90 | PDE10A (0.31) | — | |
| SCHEMBL15805988 | 0.90 | PTGER4 (0.35) | — |
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-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 |