⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439693 | 0.91 | — | — | |
| SCHEMBL28156419 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL441424 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL441425 | 0.87 | — | — | |
| SCHEMBL439180 | 0.87 | — | — | |
| SCHEMBL437399 | 0.87 | — | — | |
| SCHEMBL438216 | 0.87 | — | — | |
| SCHEMBL4658274 | 0.85 | — | — | |
| SCHEMBL2519667 | 0.75 | — | — | |
| SCHEMBL345435 | 0.75 | — | — |
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-20040068111-A1 | Unsaturated phosphonate derivatives of purines and pyrimidines | AVENTIS PHARMACEUTICALS INC. | 2004-04-08 | — | — | US | disclosed |
| US-20030004345-A1 | Unsaturated phosphonate derivatives of purines and pyrimidines | CASARA PATRICK (FR) | 2003-01-02 | — | — | US | disclosed |
| EP-0701562-A1 | UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES | MERRELL DOW PHARMA (US) | 1996-03-20 | — | — | EP | disclosed |
| WO-1994022882-A1 | UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-10-13 | — | — | WO | disclosed |
| EP-0618214-A1 | Unsaturated phosphonate derivatives of purines and pyrimidines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-10-05 | — | — | EP | disclosed |