⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27473863 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL5317629 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL891552 | 1.00 | — | — | |
| Benzene SCHEMBL9422353 | 0.89 | — | — | |
| Benzene SCHEMBL29198635 | 0.89 | TP53 (0.60) | — | |
| Benzene SCHEMBL29126144 | 0.89 | TP53 (0.60) | — | |
| Benzene SCHEMBL28421677 | 0.89 | — | — | |
| Benzene SCHEMBL483055 | 0.89 | TP53 (0.60) | — | |
| Benzene SCHEMBL8992291 | 0.89 | — | — | |
| Benzene SCHEMBL27811039 | 0.89 | TP53 (0.60) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111995608-B | Antiviral compound and preparation method thereof | 厦门一三九生物科技有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-111995606-B | Preparation method of 7-methyl ketone derivative | 厦门一三九生物科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-111995607-B | Preparation method of antiviral phenyl selenide | 厦门一三九生物科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-110305165-B | Guanidino luteolin-chromium (III) complex and preparation method thereof | 福建农林大学 | 2022-01-11 | — | — | CN | disclosed |
| CN-110437284-B | 5', 8-di (dimethyldiguanidino) luteolin-chromium (III) complex | 福建农林大学 | 2022-01-11 | — | — | CN | disclosed |
| CN-111995608-A | Antiviral compound containing luteolin and preparation method thereof | 厦门一三九生物科技有限公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-111995606-A | Preparation method of 7-methyl ketone derivative | 厦门一三九生物科技有限公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-111995607-A | Preparation method of antiviral phenyl selenide | 厦门一三九生物科技有限公司 | 2020-11-27 | — | — | CN | disclosed |