⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10374846 | 1.00 | — | — | |
| SCHEMBL3967086 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11406903 | 0.97 | — | — | |
| SCHEMBL1648618 | 0.96 | — | — | |
| SCHEMBL5403195 | 0.96 | — | — | |
| Iodide SCHEMBL18249294 | 0.93 | — | — | |
| SCHEMBL6187126 | 0.71 | — | — | |
| SCHEMBL10332690 | 0.71 | — | — | |
| SCHEMBL11165550 | 0.71 | — | — | |
| SCHEMBL2254566 | 0.69 | CA1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7193081-B2 | 9-(2-(2,4-cis(S)-4-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphor-inan-2 -yl)methoxyethyl)adenine by coupling the dichloridate of 9-(2-phosphonyl- methoxyethyl- or propyl)adenine (PMEA)(PMPA) with a 1-(chlorophenyl) propylene-1,3-diol | METABASIS THERAPEUTICS, INC. (US) | 2007-03-20 | — | — | US | claimed |
| EP-0082113-A1 | 2-Aminobytyl-2-penem derivatives, process for their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1983-06-22 | — | — | EP | disclosed |