⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12691888 | 0.93 | — | — | |
| SCHEMBL13753692 | 0.93 | — | — | |
| SCHEMBL13557371 | 0.93 | — | — | |
| SCHEMBL22292698 | 0.92 | AVPR1A (0.30) | — | |
| SCHEMBL13753688 | 0.92 | — | — | |
| SCHEMBL13753824 | 0.92 | AVPR1A (0.30) | — | |
| SCHEMBL9892636 | 0.92 | AVPR1A (0.30) | — | |
| SCHEMBL22698817 | 0.91 | — | — | |
| SCHEMBL25879153 | 0.91 | — | — | |
| SCHEMBL12075025 | 0.90 | TSPO (0.30) | — |
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-3321341-B1 | ORGANIC ELECTRONIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO LTD (KR) | 2020-04-29 | — | — | EP | disclosed |