⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18918251 | 0.73 | HTR2A (0.37) | — | |
| SCHEMBL6955939 | 0.72 | — | — | |
| SCHEMBL4322101 | 0.72 | — | — | |
| SCHEMBL10731618 | 0.70 | EPHX1 (0.34) | — | |
| SCHEMBL9220176 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL6947157 | 0.69 | CA2 (0.30) | — | |
| SCHEMBL9854342 | 0.68 | EPHX1 (0.35) | — | |
| SCHEMBL9225482 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL9854300 | 0.67 | EPHX1 (0.34) | — | |
| SCHEMBL31433296 | 0.66 | MTNR1A (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1051374-B1 | THE USE OF COMPRESSED CARBON DIOXIDE IN CHEMICAL REACTIONS | UNIV CAMBRIDGE TECH (GB) | 2003-10-15 | — | — | EP | disclosed |
| US-6458985-B1 | TRANSFORMATION OF AN ORGANIC MOLECULE CATALYZED BY A LIGAND-METAL COMPLEX, IS CONDUCTED IN COMPRESSED CO2 AS A SOLVENT, WHEREIN THE COMPLEX COMPRISES A PERFLUORINATED GROUP. PROCESS FOR POLYMERIZATION OF A MONOMER CONTAINING TWO | CAMBRIDGE UNIVERSITY TECHNICAL SERVICES, LTD. (GB) | 2002-10-01 | — | — | US | disclosed |