⚠ 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 | |
|---|---|---|---|---|
| Bronopol SCHEMBL23260 | 0.72 | — | — | |
| SCHEMBL8921849 | 0.72 | LMNA (0.48) | — | |
| Bronopol SCHEMBL7069554 | 0.72 | LMNA (1.00) | — | |
| SCHEMBL9419510 | 0.72 | — | — | |
| SCHEMBL7786925 | 0.72 | — | — | |
| SCHEMBL421475 | 0.72 | — | — | |
| Bronopol SCHEMBL31490721 | 0.70 | LMNA (0.94) | — | |
| SCHEMBL1613563 | 0.70 | — | — | |
| SCHEMBL29060558 | 0.70 | — | — | |
| SCHEMBL5597806 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1357497-A | Circular cooling water quality stabilizer | BALING PEROCHEMICAL YUEYANG PE (CN) | 2002-07-10 | — | — | CN | claimed |
| EP-0366457-B1 | Germicidal composition | SOMAR CORP (JP) | 1994-06-15 | — | — | EP | claimed |
| US-5013755-A | Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic | SOMAR CORPORATION (JP) | 1991-05-07 | — | — | US | claimed |
| EP-0366457-A2 | Germicidal composition | SOMAR CORPORATION (JP) | 1990-05-02 | — | — | EP | claimed |
| CN-1458172-A | Polynary copolymer containing ether phosphonic acid and sulfon carboxylic acid and process for preparing multifunctional water treating agent | GAO TONGZHU (CN) | 2003-11-26 | — | — | CN | disclosed |
| CN-1357497-A | Circular cooling water quality stabilizer | BALING PEROCHEMICAL YUEYANG PE (CN) | 2002-07-10 | — | — | CN | disclosed |
| US-5523020-A | COMPRISING 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE AND A PHENOLIC COMPOUND | KURITA WATER INDUSTRIES LTD. (JP) | 1996-06-04 | — | — | US | disclosed |
| EP-0366457-B1 | Germicidal composition | SOMAR CORP (JP) | 1994-06-15 | — | — | EP | disclosed |
| US-5013755-A | Tribromoacetoxypropane, a nitro alcohol, and dibromocyanoacetamide, synergistic | SOMAR CORPORATION (JP) | 1991-05-07 | — | — | US | disclosed |
| EP-0366457-A2 | Germicidal composition | SOMAR CORPORATION (JP) | 1990-05-02 | — | — | EP | disclosed |