⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL400439 | 1.00 | — | — | |
| SCHEMBL29098358 | 1.00 | TRPA1 (0.35) | — | |
| SCHEMBL944423 | 1.00 | TRPA1 (0.35) | — | |
| SCHEMBL30619209 | 1.00 | TRPA1 (0.35) | — | |
| SCHEMBL254292 | 1.00 | — | — | |
| SCHEMBL29100294 | 0.86 | PAOX (0.41) | — | |
| SCHEMBL29100311 | 0.86 | PAOX (0.41) | — | |
| SCHEMBL29100318 | 0.86 | PAOX (0.41) | — | |
| SCHEMBL29100289 | 0.86 | PAOX (0.41) | — | |
| SCHEMBL3959907 | 0.85 | PPARA (0.47) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113025679-B | Enzymatic preparation process of cefcapene precursor acid of t-butyloxycarbonyl | 石药集团内蒙古中诺药业有限公司 | 2023-04-28 | — | — | CN | disclosed |
| EP-3233881-B1 | UNIVERSAL METHYLATION PROFILING METHODS | UNIV COLUMBIA (US) | 2020-02-12 | — | — | EP | disclosed |
| WO-2019051184-A1 | AMIDE AND NITRILE COMPOUNDS AND METHODS OF PRODUCING AND USING THEREOF | NOVOMER, INC. (US) | 2019-03-14 | — | — | WO | disclosed |
| US-20160355542-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-12-08 | — | — | US | disclosed |
| WO-2015077370-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2015-05-28 | — | — | WO | disclosed |
| WO-2014204861-A1 | UNIVERSAL METHYLATION PROFILING METHODS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-12-24 | — | — | WO | disclosed |
| US-20070066664-A1 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES, MATERIALS FOR THEIR SYNTHESIS | PFIZER INC | 2007-03-22 | — | — | US | disclosed |
| US-7169932-B2 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis | PFIZER INC. (US) | 2007-01-30 | — | — | US | disclosed |
| EP-1739082-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | Agouron Pharmaceuticals , Inc. (US) | 2007-01-03 | — | — | EP | disclosed |
| US-20050250707-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | CANAN KOCH STACIE S | 2005-11-10 | — | — | US | disclosed |
| US-6953858-B2 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-20040171842-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis | PFIZER INC | 2004-09-02 | — | — | US | disclosed |
| US-20030153507-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2003-08-14 | — | — | US | disclosed |