⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17628492 | 0.77 | — | — | |
| SCHEMBL17890366 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL392704 | 0.64 | — | — | |
| SCHEMBL1598236 | 0.61 | — | — | |
| SCHEMBL8186445 | 0.61 | — | — | |
| SCHEMBL1596073 | 0.61 | — | — | |
| SCHEMBL4361451 | 0.61 | — | — | |
| SCHEMBL1596074 | 0.60 | — | — | |
| Isobutane SCHEMBL1148959 | 0.60 | — | — | |
| SCHEMBL6578279 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311300-B1 | RADIOLIGAND AND BINDING ASSAY | MERCK & CO INC (US) | 2008-02-27 | — | — | EP | disclosed |
| US-6838291-B2 | Radioligand and binding assay | MERCK & CO., INC. (US) | 2005-01-04 | — | — | US | disclosed |
| EP-1311300-A4 | RADIOLIGAND AND BINDING ASSAY | MERCK & CO INC (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-1311300-A1 | RADIOLIGAND AND BINDING ASSAY | Merck & Co., Inc. (US) | 2003-05-21 | — | — | EP | disclosed |
| US-20020034730-A1 | Radioligand and binding assay | MERCK SHARP & DOHME CORP. | 2002-03-21 | — | — | US | disclosed |
| WO-2002005860-A1 | RADIOLIGAND AND BINDING ASSAY | MERCK & CO., INC. (US) | 2002-01-24 | — | — | WO | disclosed |
| WO-1995020353-A1 | FUNCTIONALIZED AZA-BIMACROCYCLIC LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-08-03 | — | — | WO | disclosed |