⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20407187 | 0.84 | — | — | |
| SCHEMBL20407141 | 0.74 | PDK2 (0.33) | — | |
| SCHEMBL20405169 | 0.73 | CHRNB2 (0.31) | — | |
| SCHEMBL20407122 | 0.73 | — | — | |
| SCHEMBL24648485 | 0.71 | DHFR (0.38) | — | |
| SCHEMBL20405315 | 0.71 | ENPP1 (0.36) | — | |
| SCHEMBL23655106 | 0.70 | — | — | |
| SCHEMBL23655119 | 0.70 | HTR2A (0.32) | — | |
| SCHEMBL23654272 | 0.70 | PDK2 (0.33) | — | |
| SCHEMBL17345759 | 0.70 | WDR5 (0.39) | — |
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-3351536-A1 | ORGANIC LIGHT-EMITTING DEVICE | LG Chem, Ltd. (KR) | 2018-07-25 | — | — | EP | disclosed |