⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3353958 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL10622860 | 0.79 | — | — | |
| SCHEMBL11911639 | 0.76 | — | — | |
| SCHEMBL16326345 | 0.76 | — | — | |
| SCHEMBL13079167 | 0.76 | — | — | |
| SCHEMBL7879335 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL12220678 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL19924559 | 0.70 | — | — | |
| SCHEMBL12220685 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL11911971 | 0.69 | — | — |
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-109321372-A | A kind of still cleaning agent | 南京巨鲨显示科技有限公司 | 2019-02-12 | — | — | CN | disclosed |