⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15345991 | 0.91 | SPPL2A (0.54) | — | |
| SCHEMBL15345993 | 0.91 | SPPL2A (0.54) | — | |
| SCHEMBL13541207 | 0.90 | — | — | |
| SCHEMBL1671532 | 0.90 | — | — | |
| SCHEMBL1671530 | 0.90 | — | — | |
| SCHEMBL14639617 | 0.90 | MMP3 (0.47) | — | |
| SCHEMBL14639050 | 0.90 | — | — | |
| SCHEMBL1804868 | 0.87 | SPPL2A (0.60) | — | |
| SCHEMBL1804867 | 0.87 | SPPL2A (0.60) | — | |
| SCHEMBL1804866 | 0.87 | SPPL2A (0.60) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | GILEAD SCIENCES, INC. | 2007-01-11 | — | — | US | disclosed |