⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL30547885 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL17422610 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL11660259 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL5185751 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.87 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.87 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.87 | ALDH1A1 (1.00) | — |
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-20040006243-A1 | Method of producing oxybutynin and its derivatives | THE UNIVERSITY OF TOKYO (JP) | 2004-01-08 | — | — | US | disclosed |