⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5558203 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28052971 | 0.97 | — | — | |
| Monoethanolamine SCHEMBL20360727 | 0.84 | TSHR (0.40) | — | |
| SCHEMBL26395722 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL12557080 | 0.72 | TSHR (0.59) | — | |
| SCHEMBL8742965 | 0.71 | TSHR (0.43) | — | |
| SCHEMBL1519046 | 0.69 | — | — | |
| Betaine SCHEMBL134333 | 0.69 | — | — | |
| Betaine SCHEMBL399905 | 0.69 | TSHR (1.00) | — | |
| SCHEMBL12377938 | 0.69 | TSHR (0.41) | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200276261-A1 | A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS | HANGZHOU DAC BIOTECH CO., LTD. (CN) | 2020-09-03 | — | — | US | disclosed |
| EP-3017307-B1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIV STRASBOURG (FR) | 2018-11-21 | — | — | EP | disclosed |
| US-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2018-11-20 | — | — | US | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| US-9663454-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2017-05-30 | — | — | US | disclosed |
| US-9663454-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2017-05-30 | — | — | US | disclosed |
| WO-2016193309-A1 | NEW BIS ESTERS OF IVY SAPOGENINS FOR RUMINANTS | DSM IP ASSETS B.V. (NL) | 2016-12-08 | — | — | WO | disclosed |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2016-05-26 | — | — | US | disclosed |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2016-05-26 | — | — | US | disclosed |
| US-7566706-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20090088414-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | ADAMS JULIAN | 2009-04-02 | — | — | US | disclosed |
| US-20090069280-A1 | ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS AND METHODS OF USE THEREOF | ADAMS JULIAN | 2009-03-12 | — | — | US | disclosed |
| US-20090062250-A1 | Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof | INFINITY PHARMACEUTICALS, INC. | 2009-03-05 | — | — | US | disclosed |
| US-7375217-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-7375217-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-7361647-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2008-04-22 | — | — | US | disclosed |
| US-7282493-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-7282493-B2 | Analogs of benzoquinone-containing ansamycins and methods of use thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2007-10-16 | — | — | US | disclosed |
| US-20030129158-A1 | Anionic or cationic dendrimer antimicrobial or antiparasitic compositions | STARPHARMA LIMITED | 2003-07-10 | — | — | US | disclosed |