⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL148929 | 0.84 | ALDH1A1 (0.39) | — | |
| Formic Acid SCHEMBL3682015 | 0.82 | — | — | |
| Iodide SCHEMBL17865375 | 0.81 | ALDH1A1 (0.36) | — | |
| Water SCHEMBL1506765 | 0.81 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL11313405 | 0.81 | ALDH1A1 (0.36) | — | |
| Sulfuric Acid SCHEMBL4634973 | 0.77 | CA5A (0.35) | — | |
| Acetic Acid SCHEMBL5532865 | 0.77 | FFAR3 (0.41) | — | |
| Formic Acid SCHEMBL193701 | 0.74 | — | — | |
| Isopropyl Alcohol SCHEMBL5771119 | 0.73 | — | — | |
| Formic Acid SCHEMBL1704314 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1663486-A4 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN SPEC CHEM CORP (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20070282026-A1 | Low-Odor Catalyst for Isocyanate-Derived Foams and Elastomers | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2007-12-06 | — | — | US | disclosed |
| EP-1663486-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005009601-A2 | LOW-ODOR CATALYST FOR ISOCYANATE-DERIVED FOAMS AND ELASTOMERS | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |