⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10624680 | 0.81 | — | — | |
| SCHEMBL258241 | 0.79 | — | — | |
| SCHEMBL8065611 | 0.77 | — | — | |
| SCHEMBL7957862 | 0.77 | — | — | |
| SCHEMBL815229 | 0.76 | — | — | |
| SCHEMBL10457106 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL814841 | 0.72 | SKP2 (0.35) | — | |
| SCHEMBL814781 | 0.71 | TYR (0.36) | — | |
| SCHEMBL3890629 | 0.71 | CALM1 (0.41) | — | |
| SCHEMBL985513 | 0.70 | TYR (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 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 |