⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7538937 | 0.98 | — | — | |
| SCHEMBL7542223 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL7537344 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL7533205 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7543381 | 0.78 | — | — | |
| Phenol SCHEMBL7545345 | 0.72 | — | — | |
| SCHEMBL1974726 | 0.70 | — | — | |
| SCHEMBL4444865 | 0.70 | — | — | |
| SCHEMBL4216771 | 0.70 | — | — | |
| SCHEMBL6243730 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1249457-B1 | Method of producing a polymer | UBE INDUSTRIES (JP) | 2005-07-20 | — | — | EP | disclosed |
| US-6521726-B1 | Method of producing a polymer | UBE INDUSTRIES, LTD. (JP) | 2003-02-18 | — | — | US | disclosed |
| EP-1249457-A2 | Method of producing a polymer | Ube Industries, Ltd. (JP) | 2002-10-16 | — | — | EP | disclosed |