⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6831075 | 1.00 | — | — | |
| SCHEMBL6831073 | 1.00 | — | — | |
| SCHEMBL9307779 | 0.87 | GABRR1 (0.35) | — | |
| SCHEMBL9307785 | 0.87 | GABRR1 (0.35) | — | |
| Phosphoric Acid SCHEMBL5083768 | 0.79 | CA2 (0.33) | — | |
| SCHEMBL27830798 | 0.76 | — | — | |
| SCHEMBL2459532 | 0.73 | — | — | |
| SCHEMBL2459531 | 0.73 | — | — | |
| SCHEMBL3020114 | 0.73 | — | — | |
| SCHEMBL27097040 | 0.73 | — | — |
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 6 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 |
| US-5922696-A | VIRICIDES AGAINST DNA VIRUSES, RETROVIRUSES AND VIRUSES INVOLVED IN TUMOR FORMATION, CYTOMEGALOVIRUS, VARICELLA-ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HUMAN IMMUNODEFICIENCY VIRUSES | MERRELL PHARMACEUTICALS INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5817647-A | VIRICIDES; ANTITUMOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1998-10-06 | — | — | US | disclosed |
| EP-0701562-B1 | UNSATURATED PHOSPHONATES DERIVATIVES OF PURINES AND PYRIMIDINES | MERRELL PHARMA INC (US) | 1997-06-18 | — | — | EP | disclosed |
| EP-0618214-A1 | Unsaturated phosphonate derivatives of purines and pyrimidines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-10-05 | — | — | EP | disclosed |