⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20114281 | 0.93 | KDM4E (0.31) | — | |
| SCHEMBL20114837 | 0.92 | TSHR (0.31) | — | |
| SCHEMBL20114163 | 0.92 | TSHR (0.30) | — | |
| SCHEMBL20114164 | 0.90 | KDM4E (0.35) | — | |
| SCHEMBL20114280 | 0.90 | — | — | |
| SCHEMBL20114397 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL20114201 | 0.88 | ALOX5 (0.30) | — | |
| SCHEMBL20114050 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL20114629 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL20114178 | 0.87 | KDM4E (0.33) | — |
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-2018080067-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |