⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9405227 | 0.97 | — | — | |
| SCHEMBL29157041 | 0.78 | SLC22A6 (0.42) | — | |
| SCHEMBL30842650 | 0.78 | SLC22A6 (0.42) | — | |
| SCHEMBL29205706 | 0.75 | — | — | |
| SCHEMBL931216 | 0.75 | — | — | |
| SCHEMBL11823697 | 0.75 | SLC22A6 (0.40) | — | |
| SCHEMBL27623038 | 0.73 | — | — | |
| SCHEMBL355778 | 0.73 | — | — | |
| SCHEMBL28662864 | 0.73 | — | — | |
| SCHEMBL7053481 | 0.72 | SLC22A6 (0.48) | — |
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-111918960-A | Methods and compositions for preventing microbial infections | 比奥普来克斯有限公司 | 2020-11-10 | — | — | CN | claimed |
| CN-104451760-A | Method for MEC (microbial electrolysis cell) hydrogen production liquid | SOOCHOW KH BIO SCIENCE & TECHNOLOGY CO LTD | 2015-03-25 | — | — | CN | disclosed |