⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9315180 | 0.77 | — | — | |
| SCHEMBL9157177 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL2863227 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL443577 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL2866911 | 0.69 | — | — | |
| SCHEMBL9156665 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL475250 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL17310047 | 0.64 | — | — | |
| SCHEMBL8659578 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL21801315 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110283202-B | System and method for preparing methylphosphonite from aluminum methylchloride | 浙江新安化工集团股份有限公司 | 2021-03-23 | — | — | CN | disclosed |
| CN-110283205-B | System and method for preparing methylphosphonite | 浙江新安化工集团股份有限公司 | 2021-03-23 | — | — | CN | disclosed |
| EP-0399949-B1 | Substituted aminoalkylphosphinic acids | CIBA GEIGY AG (CH) | 1995-04-12 | — | — | EP | disclosed |
| US-4599207-A | Process for the preparation of phosphorus-containing cyanohydrin derivatives | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-07-08 | — | — | US | disclosed |