⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24222269 | 0.72 | — | — | |
| SCHEMBL1135991 | 0.70 | — | — | |
| SCHEMBL4451016 | 0.70 | — | — | |
| SCHEMBL7526372 | 0.67 | — | — | |
| SCHEMBL6450766 | 0.67 | — | — | |
| SCHEMBL1681790 | 0.64 | — | — | |
| SCHEMBL1346963 | 0.64 | — | — | |
| SCHEMBL21657714 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL2703598 | 0.64 | — | — | |
| SCHEMBL175774 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4290918-A | ORGANIC POLYMERS BOUND TO METAL COMPOUND | HEYL & CO., CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) | 1981-09-22 | — | — | US | claimed |
| JP-2007176839-A | METHOD FOR PREPARING MERCAPTOALKYLPHOSPHONIUM COMPOUND | MITSUI CHEMICALS INC | 2007-07-12 | — | — | JP | disclosed |