⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL959738 | 1.00 | — | — | |
| SCHEMBL1355402 | 1.00 | — | — | |
| Water SCHEMBL28135540 | 1.00 | CA1 (0.30) | — | |
| Water SCHEMBL28866447 | 1.00 | CA1 (0.30) | — | |
| Water SCHEMBL20474792 | 1.00 | — | — | |
| Water SCHEMBL25269402 | 1.00 | CA1 (0.30) | — | |
| SCHEMBL4149206 | 1.00 | CA1 (0.30) | — | |
| SCHEMBL16892577 | 0.94 | — | — | |
| SCHEMBL3889606 | 0.94 | — | — | |
| SCHEMBL1668305 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105801244-A | Environment-friendly oil-soluble anti-caking agent for compound fertilizer and preparation method thereof | 中国地质大学（北京） | 2016-07-27 | — | — | CN | claimed |
| CN-115038698-A | Thienyl oxazolones and analogs | 拜耳公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-106565464-A | Method and device for separating tetrapotassium ferrocyanide trihydrate from potassium formate | 成都美富特膜科技有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-105801244-A | Environment-friendly oil-soluble anti-caking agent for compound fertilizer and preparation method thereof | 中国地质大学（北京） | 2016-07-27 | — | — | CN | disclosed |