⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28180656 | 0.97 | TSHR (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28059218 | 0.97 | TSHR (0.33) | — | |
| Phenol SCHEMBL11242303 | 0.79 | MEN1 (0.43) | — | |
| SCHEMBL2511148 | 0.79 | TSHR (0.37) | — | |
| Water SCHEMBL28060703 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL2236622 | 0.77 | — | — | |
| SCHEMBL2959935 | 0.74 | — | — | |
| SCHEMBL28530397 | 0.74 | — | — | |
| SCHEMBL28243453 | 0.74 | — | — | |
| SCHEMBL11344440 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106038710-A | Compound preparation for treating allergic vasculitis and preparation method thereof | 张伟强 | 2016-10-26 | — | — | CN | claimed |
| CN-103751943-A | Fire extinguishing composition containing nitrogenous organic compound | XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY | 2014-04-30 | — | — | CN | claimed |
| JP-3107159-A | — | — | None | — | — | JP | disclosed |
| CN-115087665-A | Engineered platelets for targeted delivery of therapeutic agents | JPV01有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-106038710-A | Compound preparation for treating allergic vasculitis and preparation method thereof | 张伟强 | 2016-10-26 | — | — | CN | disclosed |
| CN-103751943-A | Fire extinguishing composition containing nitrogenous organic compound | XI AN JIAN RUI SAFETY EMERGENCY EQUIPMENT LTD LIABILITY COMPANY | 2014-04-30 | — | — | CN | disclosed |
| JP-H03107159-A | RADIATION SENSITIVE PLATE | DU PONT HOWSON LTD | 1991-05-07 | — | — | JP | disclosed |