⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19757799 | 0.91 | — | — | |
| SCHEMBL17985338 | 0.90 | — | — | |
| SCHEMBL20616083 | 0.90 | PGR (0.30) | — | |
| SCHEMBL18505383 | 0.89 | PDE10A (0.32) | — | |
| SCHEMBL16383514 | 0.89 | AVPR1A (0.30) | — | |
| SCHEMBL20616074 | 0.88 | PDK2 (0.30) | — | |
| SCHEMBL20616097 | 0.88 | PGR (0.32) | — | |
| SCHEMBL22959534 | 0.87 | PDK2 (0.32) | — | |
| SCHEMBL16383431 | 0.87 | — | — | |
| SCHEMBL18505405 | 0.87 | KDM4E (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 |