⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8613779 | 0.80 | — | — | |
| SCHEMBL8616131 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL8616134 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL3886494 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL20302406 | 0.69 | — | — | |
| SCHEMBL11647761 | 0.67 | — | — | |
| SCHEMBL7755958 | 0.67 | — | — | |
| SCHEMBL28636076 | 0.67 | TET2 (0.31) | — | |
| SCHEMBL8462329 | 0.66 | TSHR (0.31) | — | |
| Bicarbonate SCHEMBL11516562 | 0.66 | TSHR (0.31) | — |
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-110088233-B | Effective curing agents for free-radical crosslinkable polymers | 阿科玛股份有限公司 | 2021-09-21 | — | — | CN | disclosed |