⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL361130 | 0.85 | — | — | |
| SCHEMBL7846196 | 0.84 | — | — | |
| SCHEMBL2991686 | 0.82 | ALDH1A1 (0.47) | — | |
| SCHEMBL11859365 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL11908474 | 0.77 | ALDH1A1 (0.41) | — | |
| Water SCHEMBL8165188 | 0.75 | TDP1 (0.83) | — | |
| Thiodiglycol SCHEMBL10534858 | 0.74 | TDP1 (1.00) | — | |
| Thiodiglycol SCHEMBL40132 | 0.74 | — | — | |
| SCHEMBL1169748 | 0.74 | — | — | |
| SCHEMBL9076991 | 0.73 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2009156622-A1 | ABSORBING SOLUTION CONTAINING A SULPHURATED ORGANIC DEGRADATION INHIBITOR AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBING SOLUTION | IFP (FR) | 2009-12-30 | — | — | WO | claimed |
| EP-0639562-B1 | 2-Cyanoethyl-2'-hydroxyethylsulphone, a method for preparing it and its use for the production of 3-aminopropyl-2'-hydroxyethylsulphone | BAYER AG (DE) | 1997-01-29 | — | — | EP | claimed |
| EP-0639562-A1 | 2-Cyanoethyl-2'-hydroxyethylsulphone, a method for preparing it and its use for the production of 3-aminopropyl-2'-hydroxyethylsulphone | BAYER AG (DE) | 1995-02-22 | — | — | EP | claimed |
| JP-7089930-A | — | — | None | — | — | JP | disclosed |
| WO-2009156622-A1 | ABSORBING SOLUTION CONTAINING A SULPHURATED ORGANIC DEGRADATION INHIBITOR AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBING SOLUTION | IFP (FR) | 2009-12-30 | — | — | WO | disclosed |
| EP-0929610-B1 | REACTIVE DYES WITH A HETEROCYCLIC ANCHOR | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-6197941-B1 | TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-0842163-B1 | BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP | BASF AG (DE) | 1999-11-03 | — | — | EP | disclosed |
| US-5959147-A | FORMING (HYDROXYALKYLTHIO)ALKANAMIDE FROM MERCAPTOALKANOL AND UNSATURATED AMIDE | NIPPON SHOKUBAI CO., LTD. (JP) | 1999-09-28 | — | — | US | disclosed |
| US-5886187-A | Benzene derivatives having a heterocyclic radical | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| EP-0842163-A1 | BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-20 | — | — | EP | disclosed |
| CN-1037839-C | 2-cyanoethyl 2'-hydroxyethyl sulphone, process for its preparation and its use for preparing 3-aminopropyl 2'-hydroxyethyl sulphone | BAYER AG (DE) | 1998-03-25 | — | — | CN | disclosed |
| WO-1997005124-A1 | BENZENE DERIVATIVES WITH A HETEROCYCLIC GROUP | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-13 | — | — | WO | disclosed |
| EP-0639562-B1 | 2-Cyanoethyl-2'-hydroxyethylsulphone, a method for preparing it and its use for the production of 3-aminopropyl-2'-hydroxyethylsulphone | BAYER AG (DE) | 1997-01-29 | — | — | EP | disclosed |
| CN-1105985-A | 2-cyanoethyl 2'-hydroxyethyl sulphone, process for its preparation and its use for preparing 3-aminopropyl 2'-hydroxyethyl sulphone | BAYER AG (DE) | 1995-08-02 | — | — | CN | disclosed |
| JP-H0789930-A | 2-CYANOETHYL-2'-HYDROXYETHYLSULFONE AND ITS PRODUCTION AND USE THEREOF IN PRODUCTION OF 3-AMINOPROPYL-2'-HYDROXYETHYLSULFONE | BAYER AG | 1995-04-04 | — | — | JP | disclosed |
| EP-0639562-A1 | 2-Cyanoethyl-2'-hydroxyethylsulphone, a method for preparing it and its use for the production of 3-aminopropyl-2'-hydroxyethylsulphone | BAYER AG (DE) | 1995-02-22 | — | — | EP | disclosed |
| EP-0639562-A1 | 2-Cyanoethyl-2'-hydroxyethylsulphone, a method for preparing it and its use for the production of 3-aminopropyl-2'-hydroxyethylsulphone | BAYER AG (DE) | 1995-02-22 | — | — | EP | disclosed |
| US-4787932-A | PLANT SAFENING AGENTS FOR SOYBEANS AGAINST UREA HERBICIDES | STAUFFER CHEMICAL CO. (US) | 1988-11-29 | — | — | US | disclosed |
| US-4434000-A | N-(Benzenesulfonyl) carbamates herbicidal antidotes | STAUFFER CHEMICAL COMPANY (US) | 1984-02-28 | — | — | US | disclosed |