⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14026712 | 0.74 | — | — | |
| SCHEMBL27878419 | 0.67 | HSP90AA1 (0.36) | — | |
| SCHEMBL12200619 | 0.62 | DGAT1 (0.36) | — | |
| SCHEMBL9948788 | 0.62 | P2RX7 (0.37) | — | |
| SCHEMBL28654252 | 0.61 | HCAR2 (0.40) | — | |
| SCHEMBL29056343 | 0.61 | HCAR2 (0.40) | — | |
| SCHEMBL28072130 | 0.61 | HCAR2 (0.40) | — | |
| SCHEMBL1462055 | 0.61 | — | — | |
| SCHEMBL28909761 | 0.61 | HCAR2 (0.46) | — | |
| SCHEMBL27415410 | 0.61 | — | — |
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-108410748-B | Microbial inoculum for degrading triazine herbicides and preparation method thereof | 安徽农业大学 | 2021-08-24 | — | — | CN | disclosed |