⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28702691 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL11263364 | 0.75 | — | — | |
| SCHEMBL504428 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.72 | — | — | |
| SCHEMBL48111 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.72 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.72 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112962001-A | Method for preparing graphene reinforced aluminum-based composite material by composite process | 南昌大学 | 2021-06-15 | — | — | CN | claimed |
| CN-102794453-B | Preparation method of ultrathin sheeted silver powder | SINO PLATINUM METALS CO LTD | 2014-04-09 | — | — | CN | claimed |
| CN-102794453-A | Preparation method of ultrathin sheeted silver powder | SINO PLATINUM METALS CO LTD | 2012-11-28 | — | — | CN | claimed |
| CN-102794453-B | Preparation method of ultrathin sheeted silver powder | SINO PLATINUM METALS CO LTD | 2014-04-09 | — | — | CN | disclosed |
| CN-102794453-A | Preparation method of ultrathin sheeted silver powder | SINO PLATINUM METALS CO LTD | 2012-11-28 | — | — | CN | disclosed |
| US-4434178-A | ORGANOALUMINUM CHLORIDE COMPOUNDS | HOFFMANN-LA ROCHE, INC. (US) | 1984-02-28 | — | — | US | disclosed |