⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL343559 | 1.00 | — | — | |
| SCHEMBL25412343 | 1.00 | — | — | |
| SCHEMBL25411728 | 0.84 | — | — | |
| SCHEMBL25411732 | 0.84 | — | — | |
| SCHEMBL280456 | 0.67 | — | — | |
| SCHEMBL16317106 | 0.67 | — | — | |
| SCHEMBL11248490 | 0.65 | — | — | |
| SCHEMBL11957434 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL17662273 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL21226754 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250197360-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE | 2025-06-19 | — | — | US | disclosed |
| WO-2023172726-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE (US) | 2023-09-14 | — | — | WO | disclosed |
| US-8835422-B2 | Substituted imidazoheterocycle derivatives | CARA THERAPEUTICS, INC. (US) | 2014-09-16 | — | — | US | disclosed |
| US-8431565-B2 | Substituted imidazoheterocycles | CARA THERAPEUTICS, INC. (US) | 2013-04-30 | — | — | US | disclosed |
| US-20120015930-A1 | SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES | CARA THERAPEUTICS, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2010068520-A2 | SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES | CARA THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| US-20090149450-A1 | SUBSTITUTED IMIDAZOHETEROCYCLES | CARA THERAPEUTICS, INC. (US) | 2009-06-11 | — | — | US | disclosed |
| US-6670447-B2 | An 3-acyl-4-substituted-oxazolidin-2,5-dione that readily reacts with nucleophilic reagents such as free amino acids; use in peptide synthesis for example | MITSUI CHEMICALS, INC. (JP) | 2003-12-30 | — | — | US | disclosed |
| EP-1298127-A1 | AMINO ACID-N-CARBOXY ANHYDRIDES HVAING SUBSTITUENT AT NITROGEN | Mitsui Chemicals, Inc. (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-20020173664-A1 | Amino acid-n-carboxy anhydrides hvaing substituent at nitrogen | MITSUI CHEMICALS, INC. (JP) | 2002-11-21 | — | — | US | disclosed |