⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11835630 | 0.77 | — | — | |
| SCHEMBL7519249 | 0.65 | CRBN (0.38) | — | |
| SCHEMBL437095 | 0.65 | — | — | |
| SCHEMBL1993905 | 0.63 | — | — | |
| SCHEMBL8442495 | 0.63 | CRBN (0.35) | — | |
| SCHEMBL7523601 | 0.63 | TOP2A (0.42) | — | |
| SCHEMBL2064741 | 0.60 | CRBN (0.42) | — | |
| SCHEMBL7732788 | 0.60 | CRBN (0.42) | — | |
| SCHEMBL21769 | 0.60 | — | — | |
| SCHEMBL4941290 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3331882-B1 | ETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2020-04-29 | — | — | EP | disclosed |
| CN-106170479-B | Acetenyl-imidazolidine-2,4-dione derivative as MGLUR4 regulator | 豪夫迈·罗氏有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-106170479-B | Acetenyl-imidazolidine-2,4-dione derivative as MGLUR4 regulator | 豪夫迈·罗氏有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-106170479-A | Acetenyl imidazolidine 2,4 derovatives as MGLUR4 regulator | 豪夫迈·罗氏有限公司 | 2016-11-30 | — | — | CN | disclosed |