⚠ 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 SCHEMBL29500440 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL607689 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.93 | — | — | |
| Isopropyl Alcohol SCHEMBL8329582 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.93 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL25227904 | 0.86 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL2848621 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110627619-B | Preparation method of pinacol | 山西大学 | 2021-11-19 | — | — | CN | disclosed |
| CN-110627619-A | Preparation method of pinacol | 山西大学 | 2019-12-31 | — | — | CN | disclosed |
| US-20050031908-A1 | Reduced dust adhesion; fine particles of copper, gold ferromagnetic alloy | FUJI PHOTO FILM CO., LTD. | 2005-02-10 | — | — | US | disclosed |
| EP-1505575-A1 | Magnetic recording medium | FUJI PHOTO FILM CO., LTD. (JP) | 2005-02-09 | — | — | EP | disclosed |