⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28176204 | 0.73 | — | — | |
| Thiourea SCHEMBL29031905 | 0.67 | — | — | |
| SCHEMBL12674170 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL27849535 | 0.64 | — | — | |
| SCHEMBL906627 | 0.64 | — | — | |
| SCHEMBL28017189 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL28218873 | 0.61 | — | — | |
| SCHEMBL1009978 | 0.61 | — | — | |
| SCHEMBL16449 | 0.61 | — | — | |
| SCHEMBL8340941 | 0.61 | ALDH1A1 (0.37) | — |
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-103789757-B | A kind of copper material chrome-free tanning agent and application process thereof | 东莞市凯盟表面处理技术开发有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-103789757-A | Copper chromate-free passivation agent and application method thereof | DONGGUAN KAIMENG SURFACE TREAT TECHNOLOGY DEV LTD COMPANY | 2014-05-14 | — | — | CN | disclosed |