⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16412613 | 0.77 | — | — | |
| Thiosemicarbazide SCHEMBL11319540 | 0.70 | — | — | |
| SCHEMBL1101257 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL26928200 | 0.70 | CRBN (0.32) | — | |
| SCHEMBL9298861 | 0.69 | — | — | |
| SCHEMBL23829874 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL8980430 | 0.67 | — | — | |
| SCHEMBL28356166 | 0.65 | — | — | |
| SCHEMBL10395026 | 0.65 | — | — | |
| Thiourea SCHEMBL29287642 | 0.65 | TSHR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113624751-A | Fluorine ion detection method, display agent for realizing method and synthesis method | 中国人民解放军69007部队 | 2021-11-09 | — | — | CN | claimed |
| CN-103641746-B | A kind of synthesis technique of N-methyl-N ' nitroguanidine | QINGDAO WENCHUANG SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2016-03-30 | — | — | CN | claimed |
| CN-113624751-A | Fluorine ion detection method, display agent for realizing method and synthesis method | 中国人民解放军69007部队 | 2021-11-09 | — | — | CN | disclosed |
| CN-103641746-B | A kind of synthesis technique of N-methyl-N ' nitroguanidine | QINGDAO WENCHUANG SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2016-03-30 | — | — | CN | disclosed |
| CN-103641746-B | A kind of synthesis technique of N-methyl-N ' nitroguanidine | QINGDAO WENCHUANG SCIENCE & TECHNOLOGY CO., LTD. (CN) | 2016-03-30 | — | — | CN | disclosed |