⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7024452 | 0.84 | MMP1 (0.53) | — | |
| SCHEMBL16196732 | 0.84 | MMP1 (0.53) | — | |
| SCHEMBL5166336 | 0.82 | — | — | |
| SCHEMBL1039374 | 0.82 | — | — | |
| Water SCHEMBL14563848 | 0.80 | MMP1 (0.50) | — | |
| SCHEMBL2170908 | 0.80 | — | — | |
| SCHEMBL7524679 | 0.80 | MMP1 (0.50) | — | |
| SCHEMBL6990198 | 0.80 | — | — | |
| SCHEMBL1884481 | 0.80 | — | — | |
| SCHEMBL28778171 | 0.80 | MMP1 (0.54) | — |
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-105283439-B | The dibenzoylhydrazine of boracic | 英特瑞克斯顿股份有限公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-105283439-A | BORON-CONTAINING DIACYLHYDRAZINES | INTREXON CORP | 2016-01-27 | — | — | CN | disclosed |