⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23655106 | 0.75 | — | — | |
| SCHEMBL23654272 | 0.72 | PDK2 (0.33) | — | |
| SCHEMBL20405533 | 0.68 | DHFR (0.30) | — | |
| SCHEMBL20407067 | 0.67 | — | — | |
| SCHEMBL20405157 | 0.64 | PRSS1 (0.38) | — | |
| SCHEMBL20407208 | 0.62 | — | — | |
| SCHEMBL17233969 | 0.62 | PDK2 (0.38) | — | |
| SCHEMBL20404871 | 0.61 | PDK2 (0.33) | — | |
| SCHEMBL20405215 | 0.60 | — | — | |
| SCHEMBL20405537 | 0.59 | — | — |
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 |