⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28859415 | 0.85 | TDP1 (0.34) | — | |
| SCHEMBL26934437 | 0.84 | CES2 (0.37) | — | |
| SCHEMBL4405127 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL18724074 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL3888490 | 0.79 | ACHE (0.39) | — | |
| SCHEMBL4403212 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL19086326 | 0.78 | ESR2 (0.50) | — | |
| SCHEMBL4403138 | 0.78 | ESR2 (0.35) | — | |
| SCHEMBL2787907 | 0.76 | TDP1 (0.37) | — | |
| SCHEMBL12336893 | 0.76 | TDP1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675930-B1 | NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF | MERCK PATENT GMBH (DE) | 2018-05-30 | — | — | EP | disclosed |