⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29635658 | 0.97 | — | — | |
| SCHEMBL165706 | 0.97 | — | — | |
| SCHEMBL6201152 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27777173 | 0.94 | MEN1 (0.52) | — | |
| Water SCHEMBL28237316 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL4265090 | 0.94 | — | — | |
| Bromide SCHEMBL28196870 | 0.92 | MEN1 (0.50) | — | |
| Ethyne SCHEMBL28199179 | 0.92 | MEN1 (0.50) | — | |
| Ethane SCHEMBL27840710 | 0.92 | MEN1 (0.50) | — | |
| Bromide SCHEMBL28196869 | 0.92 | MEN1 (0.50) | — |
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-109608369-A | Sulphonyl ester group anthraquinone derivatives and its preparation method and application | 广西大学 | 2019-04-12 | — | — | CN | claimed |
| CN-109608369-A | Sulphonyl ester group anthraquinone derivatives and its preparation method and application | 广西大学 | 2019-04-12 | — | — | CN | disclosed |