⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17855080 | 0.92 | KDM4E (0.34) | — | |
| SCHEMBL21037263 | 0.91 | AHR (0.31) | — | |
| SCHEMBL17804915 | 0.91 | KDM4E (0.33) | — | |
| SCHEMBL20114033 | 0.90 | — | — | |
| SCHEMBL17804783 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL25472846 | 0.90 | KDM4E (0.33) | — | |
| SCHEMBL22680664 | 0.89 | — | — | |
| SCHEMBL16858138 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL21141197 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL17855402 | 0.89 | AHR (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 |
|---|---|---|---|---|---|---|---|
| US-20180123048-A1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2018-05-03 | — | — | US | disclosed |