⚠ 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 | |
|---|---|---|---|---|
| Fluoroacetate SCHEMBL78188 | 0.95 | — | — | |
| Fluoroacetate SCHEMBL13651728 | 0.95 | — | — | |
| Fluoroacetate SCHEMBL5908770 | 0.95 | — | — | |
| Fluoroacetate SCHEMBL1509806 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL5692557 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL6914892 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL19915180 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL4586102 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL19809546 | 0.91 | — | — | |
| Fluoroacetate SCHEMBL899898 | 0.91 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107163014-B | A kind of synthetic method of icariine | 北京盛诺基医药科技有限公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-107216303-A | Fluorine can draw fixed synthetic method | 北京盛诺基医药科技有限公司 | 2017-09-29 | — | — | CN | disclosed |
| CN-107163014-A | A kind of synthetic method of icariine | 北京盛诺基医药科技有限公司 | 2017-09-15 | — | — | CN | disclosed |
| US-20080305309-A1 | COATING COMPOSITIONS, PROCESS AND LUMINESCENT COATED ARTICLES | E. I. DU PONT DE NEMOURS AND COMPANY | 2008-12-11 | — | — | US | disclosed |
| US-20080305243-A1 | METHOD FOR IDENTIFYING ARTICLES AND PROCESS FOR MAINTAINING SECURITY | E. I. DU PONT DE NEMOURS AND COMPANY | 2008-12-11 | — | — | US | disclosed |
| US-20080306250-A1 | RARE-EARTH AMIDATE CHELATES | E. I. DU PONT DE NEMOURS AND COMPANY | 2008-12-11 | — | — | US | disclosed |