⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1477 | 0.94 | — | — | |
| SCHEMBL28183431 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28356696 | 0.89 | — | — | |
| SCHEMBL28504674 | 0.89 | — | — | |
| SCHEMBL27798341 | 0.77 | — | — | |
| Hydroxyl Radical SCHEMBL28082065 | 0.76 | — | — | |
| SCHEMBL2713 | 0.70 | — | — | |
| Butane SCHEMBL5569569 | 0.68 | — | — | |
| SCHEMBL2008 | 0.68 | — | — | |
| SCHEMBL27492874 | 0.68 | — | — |
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-105712812-B | Utilize the chiral beta-Amines and its method of the preparation of asymmetric reduction aminating reaction | 西北农林科技大学 | 2019-03-01 | — | — | CN | disclosed |
| CN-102470663-A | Method for making relief printing plate and flushing liquid for making relief printing plate | FUJIFILM CORP | 2012-05-23 | — | — | CN | disclosed |