⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18184622 | 0.78 | — | — | |
| SCHEMBL14463968 | 0.74 | — | — | |
| SCHEMBL14463965 | 0.72 | NOTUM (0.33) | — | |
| SCHEMBL13026464 | 0.67 | CDK8 (0.33) | — | |
| SCHEMBL18535906 | 0.67 | CA12 (0.32) | — | |
| SCHEMBL15166104 | 0.67 | — | — | |
| SCHEMBL19903738 | 0.67 | — | — | |
| SCHEMBL20924432 | 0.66 | GRIN2D (0.31) | — | |
| SCHEMBL18323704 | 0.61 | HMGCR (0.31) | — | |
| SCHEMBL7548635 | 0.61 | ALDH1A1 (0.46) | — |
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-3326998-B1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO LTD (KR) | 2020-12-02 | — | — | EP | disclosed |