⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846655 | 0.81 | — | — | |
| SCHEMBL211701 | 0.81 | — | — | |
| SCHEMBL8846741 | 0.80 | — | — | |
| SCHEMBL5961209 | 0.76 | — | — | |
| SCHEMBL7996314 | 0.74 | GGPS1 (0.41) | — | |
| SCHEMBL11393156 | 0.72 | MEN1 (0.39) | — | |
| SCHEMBL9793572 | 0.71 | — | — | |
| SCHEMBL2346721 | 0.70 | — | — | |
| SCHEMBL8846662 | 0.70 | FDPS (0.30) | — | |
| SCHEMBL4081291 | 0.69 | — | — |
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-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 |
| US-6635235-B1 | Bifunctional chelating agent for the design and development of site specific radiopharmaceuticals and biomolecule conjugation strategy | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2003-10-21 | — | — | US | disclosed |