⚠ 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 | |
|---|---|---|---|---|
| Dodecylamine SCHEMBL27720825 | 0.94 | DNM1 (0.35) | — | |
| Butylamine SCHEMBL28050712 | 0.85 | DNTT (0.36) | — | |
| Hydrazine SCHEMBL28208339 | 0.83 | — | — | |
| Water SCHEMBL27822730 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27545669 | 0.81 | — | — | |
| Diphenylamine SCHEMBL28609644 | 0.71 | CASP3 (0.39) | — | |
| SCHEMBL28843521 | 0.71 | ALDH1A1 (0.33) | — | |
| Diphenylamine SCHEMBL28620108 | 0.71 | CASP3 (0.39) | — | |
| Hydrazine SCHEMBL28030851 | 0.71 | NFKB1 (0.32) | — | |
| SCHEMBL27491016 | 0.70 | NFKB1 (0.33) | — |
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-105294536-A | Method for preparing 3-imino isoindoline ketone compounds | SHANGHAI INST ORGANIC CHEM | 2016-02-03 | — | — | CN | disclosed |