⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9768079 | 0.73 | — | — | |
| SCHEMBL11847463 | 0.70 | — | — | |
| SCHEMBL27731102 | 0.67 | — | — | |
| SCHEMBL1641886 | 0.67 | — | — | |
| SCHEMBL10961131 | 0.67 | — | — | |
| SCHEMBL2971106 | 0.65 | — | — | |
| SCHEMBL845198 | 0.63 | — | — | |
| SCHEMBL1906553 | 0.63 | — | — | |
| SCHEMBL4782174 | 0.63 | — | — | |
| SCHEMBL6591708 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10045754-A | — | — | None | — | — | JP | disclosed |
| WO-2016075085-A1 | FLUOROMALONYL HALFTHIOESTERS | ETH ZURICH (CH) | 2016-05-19 | — | — | WO | disclosed |
| EP-3020703-A1 | Fluoromalonyl Halfthioesters | ETH Zurich (CH) | 2016-05-18 | — | — | EP | disclosed |
| US-8642728-B2 | Modulation of the activity and differentiation of cells expressing the osteoclast-associated receptor | CAMBRIDGE ENTERPRISE LTD. (GB) | 2014-02-04 | — | — | US | disclosed |
| JP-H1045754-A | 1,2,4-TRIAZOLE DERIVATIVE AND HERBICIDE CONTAINING THE SAME | OTSUKA CHEM CO LTD | 1998-02-17 | — | — | JP | disclosed |