⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28098569 | 0.82 | CA1 (0.32) | — | |
| SCHEMBL28098712 | 0.79 | — | — | |
| SCHEMBL18280673 | 0.78 | — | — | |
| SCHEMBL18280674 | 0.74 | GABRA1 (0.31) | — | |
| SCHEMBL18289298 | 0.73 | GABRA1 (0.37) | — | |
| SCHEMBL28098733 | 0.72 | TGFBR1 (0.32) | — | |
| SCHEMBL29358639 | 0.72 | CYP17A1 (0.31) | — | |
| SCHEMBL18497905 | 0.72 | CYP17A1 (0.31) | — | |
| SCHEMBL18289291 | 0.69 | GABRG2 (0.30) | — | |
| SCHEMBL29355247 | 0.66 | PDK2 (0.41) | — |
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-105960402-A | Microbicidal heterobicyclic derivatives | 先正达参股股份有限公司 | 2016-09-21 | — | — | CN | disclosed |