⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14248633 | 0.75 | — | — | |
| SCHEMBL318228 | 0.72 | — | — | |
| SCHEMBL20080617 | 0.72 | — | — | |
| SCHEMBL2774537 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL5741689 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL19839414 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL6130797 | 0.65 | — | — | |
| SCHEMBL7535426 | 0.64 | — | — | |
| SCHEMBL6655327 | 0.63 | GSK3A (0.36) | — | |
| SCHEMBL5323960 | 0.62 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080397-B2 | Biocatalystic synthesis of quinic acid and conversion to hydroquinone by recombinant microbes | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-20100279368-A1 | Biocatalystic Synthesis of Quinic Acid and Conversion to Hydroquinone by Recombinant Microbes | NATIONAL SCIENCE FOUNDATION | 2010-11-04 | — | — | US | disclosed |
| US-7642083-B2 | Generation of hydroquinone and derivatives; obtain quinic acid, oxidize to 3,4,5-trihydroxycyclohexanone, convert 3,4,5-trihydroxycyclohexanone to hydroquinone | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2010-01-05 | — | — | US | disclosed |
| US-20060003429-A1 | Biocatalytic synthesis of quinic acid and conversion to hydroquinone | NATIONAL SCIENCE FOUNDATION | 2006-01-05 | — | — | US | disclosed |
| US-20030203460-A1 | Biocatalytic synthesis of quinic acid and conversion to hydroquinone | NATIONAL SCIENCE FOUNDATION | 2003-10-30 | — | — | US | disclosed |
| US-6620602-B2 | Generation of hydroquinone and derivatives; obtain quinic acid, oxidize to 3,4,5-trihydroxycyclohexanone, convert 3,4,5-trihydroxycyclohexanone to hydroquinone | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY | 2003-09-16 | — | — | US | disclosed |
| US-6600077-B1 | Biocatalytic synthesis of quinic acid and conversion to hydroquinone | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY | 2003-07-29 | — | — | US | disclosed |
| EP-1151125-A4 | BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE | UNIV MICHIGAN STATE (US) | 2003-04-23 | — | — | EP | disclosed |
| US-20020142409-A1 | Biocatalytic synthesis of quinic acid and conversion to hydroquinone | NATIONAL SCIENCE FOUNDATION | 2002-10-03 | — | — | US | disclosed |
| EP-1151125-A1 | BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE | Board of Trustees operating Michigan State University (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000044924-A1 | BIOCATALYTIC SYNTHESIS OF QUINIC ACID AND CONVERSION TO HYDROQUINONE | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2000-08-03 | — | — | WO | disclosed |