⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1149320 | 0.86 | NUDT1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL4902386 | 0.84 | NUDT1 (0.30) | — | |
| SCHEMBL9512818 | 0.81 | — | — | |
| Guanidine SCHEMBL1317562 | 0.77 | NUDT1 (0.30) | — | |
| SCHEMBL8679205 | 0.75 | — | — | |
| SCHEMBL20678518 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL4902379 | 0.73 | — | — | |
| SCHEMBL728114 | 0.72 | NUDT1 (0.47) | — | |
| SCHEMBL11090787 | 0.71 | — | — | |
| SCHEMBL3777100 | 0.69 | — | — |
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-117209374-A | Hydroxyl valeric acid compound containing quaternary carbon center and synthesis method thereof | 四川大学 | 2023-12-12 | — | — | CN | claimed |
| CN-112794782-B | Fluorine-containing carboxylic acid compound and preparation method thereof | 四川大学 | 2022-06-17 | — | — | CN | claimed |
| CN-115667275-B | Boron-containing compounds and uses thereof | 南京再明医药有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-117209375-A | Preparation method of polysubstituted chiral adipic acid compound containing quaternary carbon center | 四川大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-117209374-A | Hydroxyl valeric acid compound containing quaternary carbon center and synthesis method thereof | 四川大学 | 2023-12-12 | — | — | CN | disclosed |
| CN-109679045-B | Novel green reinforcing resin for tire rubber and composition thereof | 山东圣泉新材料股份有限公司 | 2022-04-12 | — | — | CN | disclosed |