⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1674877 | 0.81 | LPAR2 (0.34) | — | |
| SCHEMBL9891057 | 0.78 | — | — | |
| SCHEMBL337243 | 0.73 | — | — | |
| SCHEMBL1559671 | 0.72 | LPAR2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL11656919 | 0.71 | — | — | |
| SCHEMBL2459231 | 0.71 | LPAR2 (0.31) | — | |
| SCHEMBL3956656 | 0.70 | — | — | |
| SCHEMBL4332507 | 0.70 | — | — | |
| SCHEMBL875814 | 0.69 | — | — | |
| SCHEMBL12306859 | 0.69 | LPAR2 (0.33) | — |
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-8785629-B2 | Phosphonates synthons for the synthesis of phosphonates derivatives showing better bioavailability | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2014-07-22 | — | — | US | disclosed |
| US-20120142897-A1 | PHOSPHONATES SYNTHONS FOR THE SYNTHESIS OF PHOSPHONATES DERIVATIVES SHOWING BETTER BIOAVAILABILITY | UNIVERSITE D'ORLEANS (FR) | 2012-06-07 | — | — | US | disclosed |