⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2381476 | 0.97 | — | — | |
| SCHEMBL29157267 | 0.97 | THRB (0.56) | — | |
| SCHEMBL2382234 | 0.97 | — | — | |
| SCHEMBL62155 | 0.97 | — | — | |
| SCHEMBL31303531 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL21682461 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL28127902 | 0.94 | — | — | |
| Alcohol SCHEMBL15477222 | 0.94 | THRB (0.53) | — | |
| Glycerin SCHEMBL3252402 | 0.94 | LMNA (0.56) | — | |
| SCHEMBL28102183 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1027415-A1 | CLEANING COMPOSITIONS AND METHODS FOR CLEANING RESIN AND POLYMERIC MATERIALS USED IN MANUFACTURE | Kyzen Corporation (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999016855-A1 | CLEANING COMPOSITIONS AND METHODS FOR CLEANING RESIN AND POLYMERIC MATERIALS USED IN MANUFACTURE | KYZEN CORPORATION (US) | 1999-04-08 | — | — | WO | disclosed |