⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29087 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL6256622 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10490439 | 0.85 | — | — | |
| SCHEMBL28195692 | 0.85 | — | — | |
| SCHEMBL28195691 | 0.85 | — | — | |
| Ethylene SCHEMBL28792622 | 0.85 | — | — | |
| SCHEMBL28204301 | 0.85 | — | — | |
| Acetic Acid SCHEMBL9544148 | 0.76 | FFAR3 (0.37) | — | |
| Methacrylic Acid SCHEMBL4787694 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL27760831 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001010882-A9 | DEPOT FORMS OF MODIFIED NUCLEOSIDE 5'-HYDROGENPHOSPHATES AS INHIBITORS OF REPRODUCTION OF HUMAN IMMUNODEFICIENCY VIRUS AND HUMAN HEPATITIS B VIRUS | ADANI ALEXANDER (CA) | 2002-08-29 | — | — | WO | disclosed |
| WO-2001010882-A1 | DEPOT FORMS OF MODIFIED NUCLEOSIDE 5'-HYDROGENPHOSPHATES AS INHIBITORS OF REPRODUCTION OF HUMAN IMMUNODEFICIENCY VIRUS AND HUMAN HEPATITIS B VIRUS | ADANI, ALEXANDER (CA) | 2001-02-15 | — | — | WO | disclosed |