⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28105811 | 0.98 | — | — | |
| SCHEMBL1136030 | 0.82 | — | — | |
| SCHEMBL444997 | 0.81 | — | — | |
| SCHEMBL10982154 | 0.79 | — | — | |
| SCHEMBL29249282 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL1136095 | 0.79 | — | — | |
| SCHEMBL190035 | 0.77 | — | — | |
| SCHEMBL9537709 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL9358798 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL3679851 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106084215-B | The bionical method for constructing functionalization Janus particles | 陕西师范大学 | 2018-03-06 | — | — | CN | disclosed |
| CN-106084215-A | The bionical method constructing functionalization Janus particle | 陕西师范大学 | 2016-11-09 | — | — | CN | disclosed |