⚠ 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 SCHEMBL4291289 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL9244874 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL890876 | 0.82 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL16914724 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL607689 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL29814955 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL29500440 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL10729977 | 0.82 | ALDH1A1 (1.00) | — | |
| Isopropyl Alcohol SCHEMBL385 | 0.82 | — | — | |
| Isopropyl Alcohol SCHEMBL8329582 | 0.82 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3084011-A | — | — | None | — | — | JP | disclosed |
| CN-105051179-B | Recombinant microorganism and its purposes | 朗泽科技新西兰有限公司 | 2018-06-15 | — | — | CN | disclosed |
| CN-102743360-A | Preparation method of tiamulin/tiamulin salt micro-capsule | NINGXIA TAIRUI PHARMACEUTICAL CO LTD | 2012-10-24 | — | — | CN | disclosed |
| WO-2006038735-A1 | RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE | NIPPON SHOKUBAI CO., LTD. (JP) | 2006-04-13 | — | — | WO | disclosed |
| JP-H0384011-A | PRODUCTION OF PHOTOPOLYMERIZABLE COMPOSITION AND ADHESIVE MASS | SEKISUI CHEM CO LTD | 1991-04-09 | — | — | JP | disclosed |