⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27993283 | 1.00 | — | — | |
| SCHEMBL27993077 | 1.00 | — | — | |
| SCHEMBL13327227 | 0.81 | — | — | |
| SCHEMBL27676472 | 0.73 | — | — | |
| SCHEMBL27993076 | 0.73 | — | — | |
| SCHEMBL18330740 | 0.73 | — | — | |
| SCHEMBL5215319 | 0.73 | — | — | |
| SCHEMBL8609348 | 0.71 | — | — | |
| SCHEMBL2801171 | 0.71 | — | — | |
| SCHEMBL20332562 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104230987-B | A kind of [1-halo-(2-propoxyl group)]-methylphosphonic acid compounds and preparation thereof and application | 上海科生物医药有限公司 | 2016-09-21 | — | — | CN | disclosed |
| CN-104230987-A | [1-halo-(2-propoxy)]-methylphosphoric acid compounds as well as preparation and application thereof | SHANGHAI KEYI BIOLOG MEDICINE CO LTD | 2014-12-24 | — | — | CN | disclosed |