⚠ 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 SCHEMBL76390 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL23581430 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL28273844 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL3134615 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL8435475 | 0.94 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL11760811 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL28752941 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL10629853 | 0.88 | — | — | |
| Isopropyl Alcohol SCHEMBL8915811 | 0.88 | ALDH1A1 (0.75) | — | |
| Isopropyl Alcohol SCHEMBL11660254 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105985303-A | Preparation method of anticoagulant, intermediate, and preparation method of intermediate | 上海彩迩文生化科技有限公司 | 2016-10-05 | — | — | CN | disclosed |