⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11689641 | 0.82 | KDM4E (0.39) | — | |
| SCHEMBL10820303 | 0.80 | — | — | |
| SCHEMBL756112 | 0.74 | — | — | |
| SCHEMBL5218779 | 0.73 | — | — | |
| SCHEMBL380314 | 0.73 | — | — | |
| SCHEMBL3422223 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL28165626 | 0.71 | — | — | |
| SCHEMBL28549670 | 0.71 | — | — | |
| Dimethyl Sulfone SCHEMBL16178585 | 0.70 | — | — | |
| SCHEMBL9665309 | 0.69 | CA2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0630381-A4 | ANTIVIRAL ACYCLIC PHOSPHONOMETHOXYALKYL SUBSTITUTED, ALKENYL AND ALKYNYL PURINE AND PYRIMIDINE DERIVATIVES. | — | 1995-01-04 | — | — | EP | disclosed |
| EP-0630381-A1 | ANTIVIRAL ACYCLIC PHOSPHONOMETHOXYALKYL SUBSTITUTED, ALKENYL AND ALKYNYL PURINE AND PYRIMIDINE DERIVATIVES. | ACAD OF SCIENCE CZECH REPUBLIC (CS) | 1994-12-28 | — | — | EP | disclosed |