⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2473748 | 0.71 | — | — | |
| SCHEMBL822879 | 0.69 | — | — | |
| SCHEMBL28418949 | 0.67 | — | — | |
| SCHEMBL80285 | 0.67 | — | — | |
| SCHEMBL823002 | 0.67 | PPARD (0.38) | — | |
| Monoethanolamine SCHEMBL28875803 | 0.67 | ALDH1A1 (0.82) | — | |
| SCHEMBL6510531 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL23302895 | 0.65 | — | — | |
| SCHEMBL20184358 | 0.65 | — | — | |
| SCHEMBL7201131 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1009447-B1 | HYDROXYMETHYL PHOSPHINE COMPOUNDS FOR USE AS DIAGNOSTIC AND THERAPEUTIC PHARMACEUTICALS AND METHOD OF MAKING SAME | UNIV MISSOURI (US) | 2005-08-10 | — | — | EP | disclosed |
| US-6054115-A | PURIFYING BY EXPOSING A MIXTURE OF UNCOORDINATED HYDROXYALKYL PHOSPHINE GROUPS AND COORDINATED HYDROXYALKYL PHOSPHINE GROUPS TO AN AMINE TO SEPARATE THE UNBOUND COORDINATED GROUPS FROM THE BOUND UNCOORDINATED GROUPS | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2000-04-25 | — | — | US | disclosed |
| US-5855867-A | RADIOLOGICAL IMAGING | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 1999-01-05 | — | — | US | disclosed |