⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19465395 | 0.78 | — | — | |
| SCHEMBL25750315 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL28756013 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL1766882 | 0.75 | — | — | |
| SCHEMBL22792790 | 0.75 | — | — | |
| SCHEMBL16602887 | 0.75 | — | — | |
| SCHEMBL20969492 | 0.72 | ADH1B (0.36) | — | |
| SCHEMBL1241816 | 0.72 | — | — | |
| SCHEMBL16285501 | 0.71 | — | — | |
| SCHEMBL21541293 | 0.69 | — | — |
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-2379561-B1 | MLK INHIBITORS AND METHODS OF USE | UNIV ROCHESTER (US) | 2015-11-04 | — | — | EP | disclosed |
| WO-2015084043-A2 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-06-11 | — | — | WO | disclosed |