⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21980597 | 0.70 | — | — | |
| SCHEMBL6556607 | 0.59 | — | — | |
| SCHEMBL29059601 | 0.55 | — | — | |
| SCHEMBL9715379 | 0.54 | — | — | |
| SCHEMBL4378090 | 0.51 | — | — | |
| SCHEMBL15899268 | 0.49 | — | — | |
| SCHEMBL9422229 | 0.49 | — | — | |
| SCHEMBL2934624 | 0.48 | — | — | |
| SCHEMBL14130696 | 0.42 | — | — | |
| SCHEMBL6130806 | 0.42 | — | — |
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-105562112-A | Magnetic titanate / graphene oxide molecularly imprinted photocatalytic composite material and preparation method thereof | UNIV SHAANXI SCIENCE & TECH | 2016-05-11 | — | — | CN | claimed |
| JP-61293538-A | — | — | None | — | — | JP | disclosed |
| JP-S61293538-A | DISSOLVING METHOD FOR SOLID OR SEMISOLID SOLUTE BY SOLVENT | SHINTO PAINT CO LTD | 1986-12-24 | — | — | JP | disclosed |