⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL316875 | 0.78 | CTSA (0.36) | — | |
| SCHEMBL784167 | 0.78 | — | — | |
| Water SCHEMBL27986546 | 0.77 | CTSA (0.32) | — | |
| SCHEMBL11863035 | 0.75 | CTSA (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL10803145 | 0.75 | CTSA (0.35) | — | |
| SCHEMBL18535483 | 0.73 | CTSA (0.38) | — | |
| SCHEMBL20129798 | 0.73 | — | — | |
| SCHEMBL19697585 | 0.73 | CTSA (0.33) | — | |
| SCHEMBL10901012 | 0.73 | — | — | |
| SCHEMBL4650333 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3466959-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF | Janssen BioPharma, Inc. (US) | 2019-04-10 | — | — | EP | disclosed |
| US-20100331397-A1 | 2-5A ANALOGS AND THEIR METHODS OF USE | ALIOS BIOPHARMA, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-4254113-A | Combating arthropods with O-Alkyl-O-(2-cyclopropyl-6-methyl-pyrimidin-4-yl)-thionophosphonic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-03 | — | — | US | disclosed |