⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11126638 | 0.96 | CA1 (0.30) | — | |
| Fluoride SCHEMBL27474380 | 0.96 | — | — | |
| SCHEMBL16851 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL28169082 | 0.93 | — | — | |
| SCHEMBL29401883 | 0.93 | — | — | |
| Water SCHEMBL8763582 | 0.93 | — | — | |
| SCHEMBL28146323 | 0.93 | — | — | |
| SCHEMBL28610358 | 0.93 | — | — | |
| Hydrogen Peroxide SCHEMBL11746861 | 0.90 | — | — | |
| Benzene SCHEMBL28775548 | 0.90 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240208984-A1 | BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS | VIRGINIA COMMONWEALTH UNIVERSITY | 2024-06-27 | — | — | US | disclosed |
| EP-4313051-A1 | BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS | Virginia Commonwealth University (US) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022212471-A1 | BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2022-10-06 | — | — | WO | disclosed |
| EP-3840751-A1 | NON-PEPTIDE OPIOID RECEPTOR MODULATORS | Virginia Commonwealth University (US) | 2021-06-30 | — | — | EP | disclosed |
| US-11014933-B2 | Non-peptide opioid receptor modulators | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2021-05-25 | — | — | US | disclosed |
| US-20200216458-A1 | NON-PEPTIDE OPIOID RECEPTOR MODULATORS | VIRGINIA COMMONWEALTH UNIVERSITY | 2020-07-09 | — | — | US | disclosed |
| WO-2020041159-A1 | NON-PEPTIDE OPIOID RECEPTOR MODULATORS | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2020-02-27 | — | — | WO | disclosed |
| US-7307173-B1 | Pyrroline chromophores | UNIVERSITY OF WASHINGTON (US) | 2007-12-11 | — | — | US | disclosed |