⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17039375 | 0.90 | DUSP3 (0.32) | — | |
| SCHEMBL17039406 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL17039390 | 0.83 | HIF1A (0.31) | — | |
| SCHEMBL17039500 | 0.81 | PTGER4 (0.34) | — | |
| SCHEMBL17039391 | 0.79 | ENPP3 (0.36) | — | |
| SCHEMBL14233142 | 0.79 | PRKCB (0.32) | — | |
| SCHEMBL17039399 | 0.78 | KDM4E (0.35) | — | |
| SCHEMBL16613395 | 0.78 | — | — | |
| SCHEMBL17039388 | 0.77 | RAD51 (0.36) | — | |
| SCHEMBL17039586 | 0.77 | DUSP3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015126161-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-08-27 | — | — | WO | disclosed |