⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6698518 | 0.96 | — | — | |
| Bromide SCHEMBL22471682 | 0.92 | — | — | |
| SCHEMBL27800560 | 0.83 | — | — | |
| Bromide SCHEMBL9147738 | 0.77 | — | — | |
| SCHEMBL3309897 | 0.71 | — | — | |
| SCHEMBL2175 | 0.66 | — | — | |
| SCHEMBL14127278 | 0.66 | — | — | |
| SCHEMBL8484 | 0.66 | — | — | |
| SCHEMBL4051713 | 0.66 | TSHR (0.50) | — | |
| SCHEMBL10962222 | 0.61 | TSHR (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040042963-A1 | BIOMOLECULE CONJUGATION STRATEGY USING NOVEL WATER-SOLUBLE PHOSPHINE-BASED CHELATING AGENTS | ENERGY, UNITED STATES DEPARTMENT OF | 2004-03-04 | — | — | US | claimed |
| US-6780397-B2 | 6,8-BIS(PHOSPHINOPROPYLTHIO)OCTANOIC ACID CHEMICAL INTERMEDIATE; CANCER AND TUMOR DIAGNOSIS; RADIOPHARMACEUTICALS | CURATORS OF THE UNIVERSITY OF MISSOURI | 2004-08-24 | — | — | US | disclosed |
| US-20040042963-A1 | BIOMOLECULE CONJUGATION STRATEGY USING NOVEL WATER-SOLUBLE PHOSPHINE-BASED CHELATING AGENTS | ENERGY, UNITED STATES DEPARTMENT OF | 2004-03-04 | — | — | US | disclosed |