⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL4154491 | 0.93 | — | — | |
| SCHEMBL3361635 | 0.79 | CYP2D6 (0.33) | — | |
| SCHEMBL4947862 | 0.79 | — | — | |
| SCHEMBL9550670 | 0.78 | — | — | |
| SCHEMBL11548254 | 0.77 | — | — | |
| SCHEMBL14038119 | 0.76 | — | — | |
| SCHEMBL5029304 | 0.73 | — | — | |
| SCHEMBL10942988 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL12848975 | 0.72 | — | — | |
| SCHEMBL11601584 | 0.71 | ALDH1A1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101074242-A | Cells accumulation for sphosphonate analogs of HIV protease inhibitor compound and the same compound | GILEAD SCIENCES INC (US) | 2007-11-21 | — | — | CN | disclosed |
| CN-1313472-C | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2007-05-02 | — | — | CN | disclosed |
| WO-2005064008-A9 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES INC (US) | 2006-09-28 | — | — | WO | disclosed |
| CN-1649885-A | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2005-08-03 | — | — | CN | disclosed |