⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17985379 | 0.92 | — | — | |
| SCHEMBL16731134 | 0.86 | TSPO (0.31) | — | |
| SCHEMBL16731335 | 0.86 | TSPO (0.31) | — | |
| SCHEMBL15257554 | 0.86 | MEN1 (0.34) | — | |
| SCHEMBL17985378 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL802721 | 0.85 | PDK2 (0.32) | — | |
| SCHEMBL14960743 | 0.85 | TSPO (0.31) | — | |
| SCHEMBL14960760 | 0.84 | — | — | |
| SCHEMBL16731253 | 0.84 | — | — | |
| SCHEMBL16731070 | 0.84 | TSPO (0.32) | — |
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 |