⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL176345 | 1.00 | — | — | |
| SCHEMBL2023779 | 1.00 | — | — | |
| SCHEMBL77573 | 1.00 | — | — | |
| SCHEMBL27473407 | 1.00 | — | — | |
| SCHEMBL10681699 | 0.91 | — | — | |
| Water SCHEMBL3949364 | 0.91 | — | — | |
| SCHEMBL29138095 | 0.91 | — | — | |
| Water SCHEMBL15124695 | 0.91 | — | — | |
| Phosphine SCHEMBL12005224 | 0.91 | — | — | |
| SCHEMBL18245691 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100022467-A1 | ANTI-CANCER PHOSPHONATE ANALOGS | BOOJAMRA CONSTANTINE G | 2010-01-28 | — | — | US | disclosed |
| US-7452901-B2 | Anti-cancer phosphonate analogs | GILEAD SCIENCES, INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20060079478-A1 | Anti-cancer phosphonate analogs | GILEAD SCIENCES, INC. | 2006-04-13 | — | — | US | disclosed |
| EP-1617848-A2 | ANTI-CANCER PHOSPHONATE CONJUGATES | GILEAD SCIENCES, INC. (US) | 2006-01-25 | — | — | EP | disclosed |
| WO-2004096235-A2 | ANTI-CANCER PHOSPHONATE ANALOGS | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |