⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30803768 | 0.74 | — | — | |
| SCHEMBL10065608 | 0.74 | CYP1A2 (0.47) | — | |
| SCHEMBL2751436 | 0.74 | — | — | |
| SCHEMBL29013269 | 0.74 | SLC22A12 (0.43) | — | |
| SCHEMBL30311951 | 0.74 | SLC22A12 (0.43) | — | |
| SCHEMBL30311946 | 0.74 | CYP1A2 (0.51) | — | |
| SCHEMBL29013232 | 0.74 | CYP1A2 (0.51) | — | |
| SCHEMBL2745397 | 0.73 | — | — | |
| SCHEMBL445950 | 0.73 | — | — | |
| SCHEMBL29909710 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103755705-B | Total synthesis method for natural product tetramethyl uric acid | 上海佰特因医药科技有限公司 | 2017-02-15 | — | — | CN | disclosed |