⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8315662 | 0.75 | HTT (0.36) | — | |
| SCHEMBL8919937 | 0.69 | MMP2 (0.40) | — | |
| SCHEMBL3294106 | 0.61 | APLNR (0.36) | — | |
| SCHEMBL1149830 | 0.60 | POLA1 (0.35) | — | |
| SCHEMBL1150587 | 0.60 | POLA1 (0.35) | — | |
| SCHEMBL1149832 | 0.60 | POLA1 (0.35) | — | |
| SCHEMBL1150584 | 0.60 | POLA1 (0.35) | — | |
| SCHEMBL1149836 | 0.60 | POLA1 (0.35) | — | |
| SCHEMBL11547454 | 0.60 | — | — | |
| SCHEMBL5706652 | 0.58 | HTT (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724601-A4 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORP (US) | 1999-02-03 | — | — | EP | disclosed |
| US-5684137-A | TECHNETIUM AND RHENIUM LABELS FOR LIGANDS AND PROTEINS | NEORX CORPORATION (US) | 1997-11-04 | — | — | US | disclosed |
| EP-0724601-A1 | S 3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995005398-A1 | S3N CHELATING COMPOUNDS FOR THE RADIOLABELING OF LIGANDS, ANTI-LIGANDS OR OTHER PROTEINS | NEORX CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |
| US-5252721-A | S3 N chelating compounds | NEORX CORPORATION (US) | 1993-10-12 | — | — | US | disclosed |