⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43573 | 0.97 | — | — | |
| Methylene Chloride SCHEMBL8696402 | 0.88 | HSD17B10 (0.35) | — | |
| Ethylene Glycol SCHEMBL27888510 | 0.85 | HSD17B10 (0.39) | — | |
| Propylene Glycol SCHEMBL27876028 | 0.81 | TDP1 (0.50) | — | |
| SCHEMBL19530337 | 0.81 | TDP1 (0.34) | — | |
| SCHEMBL19198734 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL7460669 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL26015279 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL4840433 | 0.79 | HSD17B10 (0.44) | — | |
| SCHEMBL8585421 | 0.79 | HSD17B10 (0.44) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079732-A | Synthetic route of 4-alkyl secondary amino-2-butanol compound | 湖南大学 | 2020-12-15 | — | — | CN | disclosed |
| EP-1648967-B1 | CATIONIC DIRECT DYES | BASF SE (DE) | 2013-01-16 | — | — | EP | disclosed |
| EP-1732990-B1 | CATIONIC IMIDAZOLAZO DYES CONTAINING A 2,5-DIAMINOPHENYL MOIETY | BASF SE (DE) | 2011-09-07 | — | — | EP | disclosed |
| CN-1965033-B | Cationic imidazolazo dyes containing a 2,5-diaminophenyl moiety | CIBA SC HOLDING AG | 2010-05-26 | — | — | CN | disclosed |
| CN-100558818-C | Cationic direct dyes | CIBA SC HOLDING AG (CH) | 2009-11-11 | — | — | CN | disclosed |
| US-7482438-B2 | Cationic imidazolazo dyes containing a 2,5-diaminophenyl moiety | CIBA SPECIALTY CHEMICALS CORP. (US) | 2009-01-27 | — | — | US | disclosed |
| US-7307155-B2 | Cationic direct dyes | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2007-12-11 | — | — | US | disclosed |
| US-20070214580-A1 | Cationic Imidazolazo Dyes Containing A 2,5-Diaminophenyl | CIBA SPECIALTY CHEMICALS CORP. | 2007-09-20 | — | — | US | disclosed |
| EP-1732990-A2 | CATIONIC IMIDAZOLAZO DYES CONTAINING A 2,5-DIAMINOPHENYL MOIETY | Ciba SC Holding AG (CH) | 2006-12-20 | — | — | EP | disclosed |
| CN-1826386-A | Cationic direct dyes | CIBA SC HOLDING AG (CH) | 2006-08-30 | — | — | CN | disclosed |
| US-20060179586-A1 | Cationic direct dyes | CIBA SPECIALTY CHEMICALS CORP. | 2006-08-17 | — | — | US | disclosed |
| EP-1648967-A1 | CATIONIC DIRECT DYES | Ciba SC Holding AG (CH) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005095522-A2 | CATIONIC IMIDAZOLAZO DYES CONTAINING A 2, 5-DIAMINOPHENYL MOIETY | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-10-13 | — | — | WO | disclosed |
| EP-1141071-B1 | HIGH STRENGTH EPOXY ADHESIVE AND USES THEREOF | 3M INNOVATIVE PROPERTIES CO (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2005012437-A1 | CATIONIC DIRECT DYES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-02-10 | — | — | WO | disclosed |
| EP-0846679-B1 | Process for preparing 1,3-disubstituted urea | SUMIKA FINE CHEMICALS CO LTD (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-5902899-A | Process for preparing 1, 3-disubstituted urea | SUMIKA FINE CHEMICALS CO., LTD. (JP) | 1999-05-11 | — | — | US | disclosed |
| EP-0801083-A2 | Improved functionalized resin for chemical synthesis | PFIZER INC. (US) | 1997-10-15 | — | — | EP | disclosed |
| US-5087688-A | Containing liquid B-hydroxyamine; odorless, stable | CIBA-GEIGY CORPORATION (US) | 1992-02-11 | — | — | US | disclosed |
| US-4803200-A | SHIPPING FEVER SYNDROME | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-02-07 | — | — | US | disclosed |