⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27518986 | 0.72 | — | — | |
| SCHEMBL1078392 | 0.67 | — | — | |
| SCHEMBL28889581 | 0.67 | MAPT (0.37) | — | |
| SCHEMBL7135080 | 0.66 | — | — | |
| SCHEMBL28680128 | 0.66 | — | — | |
| SCHEMBL5681527 | 0.65 | — | — | |
| SCHEMBL27526976 | 0.64 | MAPT (0.30) | — | |
| SCHEMBL8009149 | 0.64 | — | — | |
| SCHEMBL8608379 | 0.63 | MAOA (0.33) | — | |
| SCHEMBL27735900 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111217660-B | Method for preparing 2, 6-dimethylanthracene from isoprene and 1, 4-benzoquinone | 中国科学院大连化学物理研究所 | 2021-06-01 | — | — | CN | disclosed |
| CN-111217660-A | Method for preparing 2, 6-dimethylanthracene from isoprene and 1, 4-benzoquinone | 中国科学院大连化学物理研究所 | 2020-06-02 | — | — | CN | disclosed |