⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3947045 | 0.93 | ALDH1A1 (0.96) | — | |
| SCHEMBL28442719 | 0.91 | ALDH1A1 (1.00) | — | |
| SCHEMBL8386922 | 0.91 | ALDH1A1 (1.00) | — | |
| SCHEMBL2744516 | 0.86 | — | — | |
| SCHEMBL21148912 | 0.79 | — | — | |
| SCHEMBL9507905 | 0.79 | — | — | |
| Ethylene SCHEMBL28152949 | 0.78 | ALDH1A1 (0.64) | — | |
| Acrylamide SCHEMBL4439667 | 0.77 | ALDH1A1 (0.64) | — | |
| Acrylic Acid SCHEMBL27988800 | 0.77 | ALDH1A1 (0.64) | — | |
| SCHEMBL2426767 | 0.77 | — | — |
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-107406373-A | Boron-containing diacylhydrazine compounds | 英特瑞克斯顿股份有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-105732468-B | A kind of N '-(2- (1H- indol-3-yls) acetyl group) aromatic hydrazide kind compound and its preparation method and application | 昆明理工大学 | 2018-10-19 | — | — | CN | disclosed |
| 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-105732468-A | N'-(2-(1H-indole-3-yl)acetyl)arylhydrazide compound and preparation method and application thereof | 昆明理工大学 | 2016-07-06 | — | — | CN | disclosed |
| CN-105283439-A | BORON-CONTAINING DIACYLHYDRAZINES | INTREXON CORP | 2016-01-27 | — | — | CN | disclosed |