⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021520 | 0.96 | — | — | |
| SCHEMBL18187097 | 0.92 | — | — | |
| SCHEMBL18187089 | 0.91 | — | — | |
| SCHEMBL7735578 | 0.91 | — | — | |
| SCHEMBL10583900 | 0.91 | — | — | |
| SCHEMBL18187078 | 0.91 | — | — | |
| SCHEMBL1168334 | 0.91 | — | — | |
| SCHEMBL3782878 | 0.91 | — | — | |
| SCHEMBL18187185 | 0.91 | — | — | |
| SCHEMBL18188042 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023081474-A9 | PHOSPHONATE-BASED COORDINATION COMPLEXES AND METHODS OF PREPARATION AND USE THEREOF | UNIVERSITY OF PUERTO RICO (US) | 2024-04-25 | — | — | WO | disclosed |
| WO-2023081474-A2 | PHOSPHONATE-BASED COORDINATION COMPLEXES AND METHODS OF PREPARATION AND USE THEREOF | UNIVERSITY OF PUERTO RICO (US) | 2023-05-11 | — | — | WO | disclosed |
| US-20160319451-A1 | ELECTRICALLY CONDUCTIVE LIQUIDS BASED ON METAL-DIPHOSPHONATE COMPLEXES | SCHLENK METALLFOLIEN GMBH & CO. KG (DE) | 2016-11-03 | — | — | US | disclosed |