⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8402944 | 1.00 | — | — | |
| SCHEMBL41343 | 1.00 | — | — | |
| SCHEMBL27789596 | 1.00 | — | — | |
| SCHEMBL14740517 | 1.00 | — | — | |
| SCHEMBL119256 | 1.00 | — | — | |
| SCHEMBL27790660 | 1.00 | — | — | |
| SCHEMBL753185 | 1.00 | — | — | |
| SCHEMBL2451945 | 1.00 | — | — | |
| SCHEMBL11692372 | 1.00 | — | — | |
| SCHEMBL166257 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017106007-A1 | PROCESS FOR TREATMENT OF SOUR WATER GENERATED FROM COAL GASIFICATION | FLUOR TECHNOLOGIES CORPORATION (US) | 2017-06-22 | — | — | WO | disclosed |
| WO-2005003766-A2 | METHODS OF REGULATING METABOLISM AND MITOCHONDRIAL FUNCTION | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2005-01-13 | — | — | WO | disclosed |
| US-3957501-A | SILICON, ALLOYS, WATER GLASS, FOAMING, CURING, COMPRESSION | SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JA) | 1976-05-18 | — | — | US | disclosed |