⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13641876 | 0.89 | TSHR (0.36) | — | |
| SCHEMBL18685121 | 0.89 | TSHR (0.36) | — | |
| SCHEMBL17368374 | 0.89 | — | — | |
| SCHEMBL12385192 | 0.87 | — | — | |
| SCHEMBL13716261 | 0.85 | — | — | |
| SCHEMBL18678799 | 0.84 | CHRM2 (0.30) | — | |
| SCHEMBL20218498 | 0.84 | CHRM2 (0.30) | — | |
| SCHEMBL10024070 | 0.84 | CHRM2 (0.30) | — | |
| SCHEMBL10024036 | 0.84 | CHRM2 (0.30) | — | |
| SCHEMBL13749379 | 0.84 | CHRM2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9845669-B2 | Hydrocarbon recovery with multi-function agent | CENOVUS ENERGY INC. (CA) | 2017-12-19 | — | — | US | disclosed |
| US-20150285051-A1 | HYDROCARBON RECOVERY WITH MULTI-FUNCTION AGENT | CENOVUS ENERGY INC. (CA) | 2015-10-08 | — | — | US | disclosed |
| US-20130200039-A1 | AQUEOUS POLISHING COMPOSITIONS CONTAINING N-SUBSTITUTED DIAZENIUM DIOXIDES AND/OR N'-HYDROXY-DIAZENIUM OXIDE SALTS | BASF SE (DE) | 2013-08-08 | — | — | US | disclosed |
| EP-2614122-A1 | AQUEOUS POLISHING COMPOSITIONS CONTAINING N-SUBSTITUTED DIAZENIUM DIOXIDES AND/OR N'-HYDROXY-DIAZENIUM OXIDE SALTS | BASF SE (DE) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012032466-A1 | AQUEOUS POLISHING COMPOSITIONS CONTAINING N-SUBSTITUTED DIAZENIUM DIOXIDES AND/OR N'-HYDROXY-DIAZENIUM OXIDE SALTS | BASF SE (DE) | 2012-03-15 | — | — | WO | disclosed |