⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL4940875 | 0.85 | — | — | |
| Propylene Glycol SCHEMBL10542747 | 0.83 | — | — | |
| Allylamine SCHEMBL25429161 | 0.82 | — | — | |
| Allylamine SCHEMBL27553532 | 0.82 | — | — | |
| Butanol SCHEMBL27481836 | 0.82 | — | — | |
| Butanol SCHEMBL7149436 | 0.80 | TSHR (0.59) | — | |
| Butanol SCHEMBL4453423 | 0.80 | TSHR (0.59) | — | |
| Butanol SCHEMBL11636263 | 0.78 | — | — | |
| Butanol SCHEMBL8863956 | 0.78 | — | — | |
| Allylamine SCHEMBL11470587 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1584674-B1 | Easy-dispersible concentrate ester quat compositions | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2007-08-15 | — | — | EP | claimed |
| US-20070179080-A1 | Easy dispersible concentrrate ester quat compositions | GALLOTTI MANLIO | 2007-08-02 | — | — | US | claimed |
| WO-2005095568-A1 | EASY-DISPERSIBLE CONCENTRATE ESTER QUAT COMPOSITIONS | CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) | 2005-10-13 | — | — | WO | claimed |
| EP-1584674-A1 | Easy-dispersible concentrate ester quat compositions | Clariant GmbH (DE) | 2005-10-12 | — | — | EP | claimed |
| EP-1584674-B1 | Easy-dispersible concentrate ester quat compositions | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2007-08-15 | — | — | EP | disclosed |