⚠ 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL537562 | 0.96 | ALDH1A1 (1.00) | — | |
| Bromobenzene SCHEMBL1331681 | 0.96 | — | — | |
| Bromobenzene SCHEMBL20537325 | 0.96 | ALDH1A1 (1.00) | — | |
| Bromobenzene SCHEMBL1331176 | 0.96 | — | — | |
| Bromobenzene SCHEMBL2158200 | 0.96 | — | — | |
| Bromobenzene SCHEMBL1332317 | 0.96 | — | — | |
| Bromobenzene SCHEMBL1542 | 0.96 | — | — | |
| SCHEMBL24508036 | 0.92 | ALDH1A1 (0.92) | — | |
| Bromobenzene SCHEMBL1444268 | 0.92 | — | — | |
| Bromobenzene SCHEMBL8813621 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112305007-B | Method for measuring deuterium isotope abundance of deuterium labeled compound by using nuclear magnetic hydrogen spectrum or deuterium spectrum | 上海化工研究院有限公司 | 2022-12-09 | — | — | CN | claimed |
| CN-112305007-A | Method for measuring deuterium isotope abundance of deuterium labeled compound by using nuclear magnetic hydrogen spectrum or deuterium spectrum | 上海化工研究院有限公司 | 2021-02-02 | — | — | CN | claimed |
| CN-114181036-B | Preparation method of total deuterated bromobenzene | 安徽秀朗新材料科技有限公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-112305007-B | Method for measuring deuterium isotope abundance of deuterium labeled compound by using nuclear magnetic hydrogen spectrum or deuterium spectrum | 上海化工研究院有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-112305007-A | Method for measuring deuterium isotope abundance of deuterium labeled compound by using nuclear magnetic hydrogen spectrum or deuterium spectrum | 上海化工研究院有限公司 | 2021-02-02 | — | — | CN | disclosed |