Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6809796 | 1.00 | — | — | |
| SCHEMBL388403 | 0.86 | — | — | |
| Potassium Ion SCHEMBL75950 | 0.86 | — | — | |
| SCHEMBL2367693 | 0.86 | — | — | |
| Zinc Ion SCHEMBL7036211 | 0.86 | — | — | |
| SCHEMBL11879355 | 0.86 | — | — | |
| SCHEMBL2142197 | 0.86 | — | — | |
| Potassium Ion SCHEMBL1325711 | 0.86 | — | — | |
| SCHEMBL1083149 | 0.86 | — | — | |
| SCHEMBL387131 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5962142-A | NON-YELLOWING SURFACE-FORMING POLYURETHANE MATERIAL CONTAINING A POLYETHERPOLYOL, A HEXAMETHYLENE DIISOCYANATE TRIMER, A COLORING AGENT AND AN ORGANIC BISMUTH CATALYST | TOYODA GOSEI CO., LTD. (JP) | 1999-10-05 | — | — | US | disclosed |