⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28195973 | 0.96 | ALDH1A1 (0.47) | — | |
| SCHEMBL99231 | 0.96 | — | — | |
| SCHEMBL5224515 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL7776241 | 0.92 | — | — | |
| SCHEMBL7702355 | 0.92 | — | — | |
| SCHEMBL30731544 | 0.92 | — | — | |
| SCHEMBL7702370 | 0.92 | — | — | |
| Potassium Ion SCHEMBL7702367 | 0.92 | — | — | |
| SCHEMBL7702357 | 0.92 | — | — | |
| Lithium Ion SCHEMBL5224511 | 0.92 | — | — |
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-107641084-A | A kind of method for producing nitroparaffins co-production ketoxime | 北京旭阳科技有限公司 | 2018-01-30 | — | — | CN | disclosed |
| CN-102574769-B | Isothermal reactor for hydrocarbon nitration | ANGUS CHEMICAL COMPNAY | 2015-04-29 | — | — | CN | disclosed |