⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27993074 | 0.79 | — | — | |
| SCHEMBL27993075 | 0.77 | — | — | |
| SCHEMBL27993073 | 0.77 | — | — | |
| SCHEMBL20815348 | 0.77 | ADRB2 (0.32) | — | |
| SCHEMBL1276477 | 0.64 | CA1 (0.32) | — | |
| SCHEMBL1276819 | 0.64 | — | — | |
| SCHEMBL9310702 | 0.63 | — | — | |
| SCHEMBL10492433 | 0.62 | THRB (0.39) | — | |
| SCHEMBL13772559 | 0.62 | — | — | |
| SCHEMBL14689491 | 0.62 | CA1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |