⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8666055 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL24444808 | 0.59 | — | — | |
| SCHEMBL29801033 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL3418047 | 0.59 | ALDH1A1 (0.36) | — | |
| Anthracene SCHEMBL28942398 | 0.59 | — | — | |
| SCHEMBL19810029 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL1893653 | 0.57 | HSD17B10 (0.41) | — | |
| SCHEMBL5815097 | 0.55 | KDM4E (0.35) | — | |
| SCHEMBL22762283 | 0.54 | FFAR4 (0.35) | — | |
| SCHEMBL21294098 | 0.54 | HPRT1 (0.48) | — |
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-3269720-B1 | NOVEL COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE | IDEMITSU KOSAN CO (JP) | 2020-06-17 | — | — | EP | disclosed |