⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21499767 | 0.83 | — | — | |
| SCHEMBL15258698 | 0.81 | — | — | |
| SCHEMBL23652088 | 0.74 | — | — | |
| SCHEMBL20120080 | 0.73 | — | — | |
| SCHEMBL21122425 | 0.73 | — | — | |
| SCHEMBL727837 | 0.72 | — | — | |
| SCHEMBL22111386 | 0.69 | — | — | |
| SCHEMBL20158463 | 0.69 | — | — | |
| SCHEMBL111488 | 0.68 | — | — | |
| SCHEMBL2958602 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170275236-A1 | DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF | MICROMIDAS, INC. (US) | 2017-09-28 | — | — | US | disclosed |
| US-20150266793-A1 | METHODS OF PRODUCING PARA-XYLENE AND TEREPHTHALIC ACID | MICROMIDAS, INC. (US) | 2015-09-24 | — | — | US | disclosed |