⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2314991 | 0.94 | — | — | |
| SCHEMBL27790229 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL5866617 | 0.76 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL485767 | 0.76 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL29159189 | 0.76 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL1305949 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL1921566 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL27562704 | 0.76 | — | — | |
| Isopropyl Alcohol SCHEMBL15939733 | 0.71 | — | — | |
| Isopropyl Alcohol SCHEMBL9487090 | 0.71 | ALDH1A1 (0.75) | — |
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-0833865-B1 | ACRYLATE-CONTAINING POLYMER BLENDS | MINNESOTA MINING & MFG (US) | 2001-04-18 | — | — | EP | disclosed |
| EP-0833865-A1 | ACRYLATE-CONTAINING POLYMER BLENDS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1997000913-A1 | ACRYLATE-CONTAINING POLYMER BLENDS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-01-09 | — | — | WO | disclosed |