⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL810732 | 0.66 | — | — | |
| SCHEMBL28219107 | 0.56 | — | — | |
| SCHEMBL11227053 | 0.54 | — | — | |
| SCHEMBL27417121 | 0.53 | — | — | |
| SCHEMBL9999339 | 0.52 | — | — | |
| SCHEMBL11355322 | 0.52 | — | — | |
| SCHEMBL12224711 | 0.52 | — | — | |
| SCHEMBL3201495 | 0.52 | — | — | |
| SCHEMBL17581107 | 0.52 | — | — | |
| SCHEMBL15484301 | 0.52 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106167295-A | A kind of material for water treatment removing chromium ion in waste water and preparation method | 何晓东 | 2016-11-30 | — | — | CN | claimed |
| CN-106167295-A | A kind of material for water treatment removing chromium ion in waste water and preparation method | 何晓东 | 2016-11-30 | — | — | CN | disclosed |
| CN-106167295-A | A kind of material for water treatment removing chromium ion in waste water and preparation method | 何晓东 | 2016-11-30 | — | — | CN | disclosed |