⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14541392 | 0.81 | — | — | |
| SCHEMBL13854707 | 0.79 | RXRA (0.36) | — | |
| SCHEMBL13372245 | 0.78 | TRPM8 (0.36) | — | |
| SCHEMBL12957651 | 0.77 | HSD17B1 (0.33) | — | |
| SCHEMBL25733615 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL23764143 | 0.76 | TNF (0.32) | — | |
| SCHEMBL22814367 | 0.74 | — | — | |
| SCHEMBL13261033 | 0.73 | MKNK1 (0.37) | — | |
| SCHEMBL19427200 | 0.73 | PTGIR (0.33) | — | |
| SCHEMBL20209041 | 0.72 | KDM4E (0.33) | — |
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-2364964-B1 | Novel anthracene derivative and organic electronic device using the same | LG CHEMICAL LTD (KR) | 2016-03-02 | — | — | EP | disclosed |