⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28516102 | 0.82 | DNM1 (0.34) | — | |
| SCHEMBL5338720 | 0.77 | HSD17B10 (0.30) | — | |
| SCHEMBL6327591 | 0.77 | — | — | |
| SCHEMBL28643463 | 0.76 | PIK3CD (0.30) | — | |
| SCHEMBL706280 | 0.74 | HSD17B10 (0.35) | — | |
| SCHEMBL309363 | 0.69 | — | — | |
| SCHEMBL1322873 | 0.69 | — | — | |
| SCHEMBL18919602 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL17075375 | 0.69 | HSD17B10 (0.31) | — | |
| SCHEMBL23824772 | 0.67 | — | — |
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 |