⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11321291 | 0.77 | — | — | |
| SCHEMBL31280989 | 0.75 | — | — | |
| SCHEMBL29175417 | 0.73 | — | — | |
| SCHEMBL4023148 | 0.73 | — | — | |
| SCHEMBL18636478 | 0.71 | SLC22A1 (0.33) | — | |
| SCHEMBL120662 | 0.71 | — | — | |
| SCHEMBL9488122 | 0.71 | — | — | |
| SCHEMBL29024602 | 0.70 | — | — | |
| SCHEMBL1317314 | 0.70 | — | — | |
| SCHEMBL428475 | 0.70 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11189503-A | — | — | None | — | — | JP | disclosed |
| EP-2372017-B1 | SOFTENER COMPOSITION | KAO CORP (JP) | 2017-09-13 | — | — | EP | disclosed |
| US-20150087723-A1 | MICROBIAL COMPOSITION | ROHM AND HAAS COMPANY (US) | 2015-03-26 | — | — | US | disclosed |
| CN-102245828-B | Softener composition | KAO CORP | 2013-11-06 | — | — | CN | disclosed |
| US-8497235-B2 | Softener composition comprising ethoxylated esterquats | KAO CORPORATION (JP) | 2013-07-30 | — | — | US | disclosed |
| CN-102245828-A | Softener composition | KAO CORP | 2011-11-16 | — | — | CN | disclosed |
| US-20110263476-A1 | SOFTENER COMPOSITION | KAO CORPORATION (JP) | 2011-10-27 | — | — | US | disclosed |
| EP-2372017-A1 | SOFTENER COMPOSITION | Kao Corporation (JP) | 2011-10-05 | — | — | EP | disclosed |
| JP-H11189503-A | ANTIMICROBIAL PHENOLIC RESIN MOLDING MATERIAL | SUMITOMO BAKELITE CO LTD | 1999-07-13 | — | — | JP | disclosed |