⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28144120 | 0.82 | — | — | |
| SCHEMBL28147340 | 0.73 | — | — | |
| SCHEMBL28067253 | 0.73 | — | — | |
| SCHEMBL28171844 | 0.73 | — | — | |
| SCHEMBL27651304 | 0.73 | — | — | |
| SCHEMBL28746707 | 0.73 | — | — | |
| SCHEMBL2230544 | 0.71 | — | — | |
| SCHEMBL29048414 | 0.67 | — | — | |
| SCHEMBL28867375 | 0.67 | — | — | |
| SCHEMBL2813298 | 0.61 | — | — |
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-105842021-B | Measure the method for impurity content and the preparation method of sample solution in alloy | 攀钢集团研究院有限公司 | 2018-09-11 | — | — | CN | disclosed |
| CN-105842021-A | Method for determining contents of impurity elements in alloy, and preparation method for sample solution | 攀钢集团研究院有限公司 | 2016-08-10 | — | — | CN | disclosed |