⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18601364 | 0.74 | — | — | |
| SCHEMBL18601372 | 0.74 | — | — | |
| SCHEMBL28754823 | 0.65 | — | — | |
| SCHEMBL8690407 | 0.58 | — | — | |
| SCHEMBL440929 | 0.57 | — | — | |
| SCHEMBL2813902 | 0.57 | — | — | |
| SCHEMBL293065 | 0.56 | — | — | |
| SCHEMBL11020883 | 0.55 | — | — | |
| SCHEMBL11224201 | 0.55 | — | — | |
| SCHEMBL11373626 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632896-B1 | ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES | HOVIONE INT LTD (CH) | 2017-03-15 | — | — | EP | claimed |