⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10028233 | 0.90 | ESR2 (0.33) | — | |
| SCHEMBL12331166 | 0.74 | — | — | |
| SCHEMBL17304531 | 0.73 | — | — | |
| SCHEMBL10028230 | 0.67 | AHR (0.31) | — | |
| SCHEMBL10028232 | 0.65 | ESR1 (0.33) | — | |
| SCHEMBL14450395 | 0.65 | — | — | |
| SCHEMBL12449846 | 0.64 | CDC14B (0.41) | — | |
| SCHEMBL1005904 | 0.62 | HSP90AA1 (0.33) | — | |
| SCHEMBL10028234 | 0.62 | MAOA (0.35) | — | |
| SCHEMBL10028236 | 0.62 | MAOA (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046915-B1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-12-02 | — | — | EP | disclosed |