⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23918103 | 0.77 | NPC1 (0.30) | — | |
| SCHEMBL23918100 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL22180403 | 0.77 | CYP1A1 (0.30) | — | |
| SCHEMBL23918099 | 0.75 | MAPT (0.36) | — | |
| SCHEMBL23918071 | 0.75 | — | — | |
| SCHEMBL23918019 | 0.75 | TDP1 (0.30) | — | |
| SCHEMBL23918102 | 0.74 | AHR (0.35) | — | |
| SCHEMBL24888151 | 0.73 | NPC1 (0.36) | — | |
| SCHEMBL24888102 | 0.72 | L3MBTL1 (0.35) | — | |
| SCHEMBL24886884 | 0.71 | CDC14B (0.36) | — |
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-20210320258-A1 | COMPOUND FOR AN ORGANIC ELECTRIC ELEMENT, AN ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO., LTD. (KR) | 2021-10-14 | — | — | US | disclosed |