⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18570035 | 0.81 | KMT2A (0.31) | — | |
| SCHEMBL23624586 | 0.78 | PGR (0.32) | — | |
| SCHEMBL18553210 | 0.70 | CYP2D6 (0.32) | — | |
| SCHEMBL20407003 | 0.70 | — | — | |
| SCHEMBL26567468 | 0.69 | PGR (0.32) | — | |
| SCHEMBL23676595 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL21517431 | 0.69 | — | — | |
| SCHEMBL23680275 | 0.69 | PDK2 (0.35) | — | |
| SCHEMBL21279849 | 0.66 | PGR (0.33) | — | |
| SCHEMBL13782580 | 0.65 | SIGMAR1 (0.32) | — |
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-2020032428-A1 | ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME | 덕산네오룩스 주식회사 | 2020-02-13 | — | — | WO | disclosed |