⚠ 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 | |
|---|---|---|---|---|
| Cyanoacetamide SCHEMBL163613 | 0.97 | — | — | |
| Cyanoacetamide SCHEMBL28053682 | 0.97 | — | — | |
| Cyanoacetamide SCHEMBL28147655 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28275993 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28242803 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28010329 | 0.94 | MCL1 (0.94) | — | |
| Cyanoacetamide SCHEMBL9555403 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL6468705 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL28248874 | 0.94 | — | — | |
| Cyanoacetamide SCHEMBL27848713 | 0.91 | MCL1 (0.88) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566369-A | Isoindolinone formamide skeleton-containing boron bifluoride complex and preparing method thereof | UNIV BEIJING CHEMICAL TECH | 2016-05-11 | — | — | CN | disclosed |