⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31852 | 0.97 | — | — | |
| SCHEMBL27977830 | 0.97 | — | — | |
| SCHEMBL5511573 | 0.93 | — | — | |
| Magnesium SCHEMBL31072424 | 0.93 | — | — | |
| SCHEMBL27647607 | 0.93 | — | — | |
| SCHEMBL11334413 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL8340867 | 0.93 | — | — | |
| SCHEMBL11341759 | 0.93 | — | — | |
| SCHEMBL11341361 | 0.93 | — | — | |
| SCHEMBL27977520 | 0.93 | — | — |
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-104176745-B | A kind of composite molecular screen and preparation method thereof | 中国石油化工股份有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-104176745-B | A kind of composite molecular screen and preparation method thereof | 中国石油化工股份有限公司 | 2016-08-17 | — | — | CN | disclosed |