⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL976266 | 0.75 | — | — | |
| SCHEMBL23546 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL7121772 | 0.70 | — | — | |
| SCHEMBL18783524 | 0.70 | — | — | |
| SCHEMBL10458007 | 0.70 | — | — | |
| SCHEMBL21121337 | 0.67 | — | — | |
| SCHEMBL119731 | 0.67 | — | — | |
| SCHEMBL146739 | 0.67 | — | — | |
| SCHEMBL148792 | 0.67 | — | — | |
| SCHEMBL1003883 | 0.67 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105037278-B | Sirt5 regulator and its screening technique | 康奈尔大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-105037278-A | Modulators for Sirt5 and assays for screening same | UNIV CORNELL | 2015-11-11 | — | — | CN | disclosed |
| CN-103097545-B | Sirt5 modulators and screening methods thereof | UNIV CORNELL | 2015-07-22 | — | — | CN | disclosed |
| US-20140117280-A1 | OXYGEN ABSORBER | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2014-05-01 | — | — | US | disclosed |
| EP-2711077-A1 | OXYGEN ABSORBER | Mitsubishi Gas Chemical Company, Inc. (JP) | 2014-03-26 | — | — | EP | disclosed |
| CN-103097545-A | Sirt5 modulators and screening methods thereof | UNIV CORNELL | 2013-05-08 | — | — | CN | disclosed |
| US-20080193700-A1 | Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2008-08-14 | — | — | US | disclosed |
| EP-1743333-A1 | METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY | CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005106868-A1 | METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-11-10 | — | — | WO | disclosed |
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |