⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5596895 | 0.72 | — | — | |
| SCHEMBL30131 | 0.67 | — | — | |
| SCHEMBL4623148 | 0.64 | — | — | |
| SCHEMBL2385479 | 0.61 | — | — | |
| SCHEMBL8825951 | 0.61 | — | — | |
| SCHEMBL322276 | 0.61 | — | — | |
| SCHEMBL350731 | 0.61 | — | — | |
| SCHEMBL793680 | 0.61 | — | — | |
| SCHEMBL15823232 | 0.61 | — | — | |
| SCHEMBL1765860 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5876693-A | COMPLEXES; MAGNETIC RESONANCE IMAGING CONTRAST AGENTS | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1996030056-A1 | HYDROXYALKYL PHOSPHINE COMPOUNDS FOR USE AS DIAGNOSTIC AND THERAPEUTIC PHARMACEUTICALS AND METHOD OF MAKING SAME | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 1996-10-03 | — | — | WO | disclosed |