⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27474861 | 0.85 | — | — | |
| SCHEMBL27666532 | 0.85 | — | — | |
| SCHEMBL10761033 | 0.80 | — | — | |
| SCHEMBL3461089 | 0.78 | — | — | |
| SCHEMBL387000 | 0.78 | — | — | |
| SCHEMBL1655362 | 0.76 | — | — | |
| SCHEMBL1274712 | 0.76 | — | — | |
| SCHEMBL27857211 | 0.76 | — | — | |
| SCHEMBL8161612 | 0.76 | — | — | |
| SCHEMBL27763848 | 0.76 | — | — |
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-104801426-B | A kind of Schiff bases caproate mineral floating collecting agent and its preparation method and application | 中南大学 | 2017-04-05 | — | — | CN | disclosed |
| CN-104801426-A | Schiff base caproate mineral flotation collecting agent as well as preparation method and application thereof | UNIV CENTRAL SOUTH | 2015-07-29 | — | — | CN | disclosed |