⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329798 | 0.96 | — | — | |
| Ethylene SCHEMBL27380248 | 0.89 | — | — | |
| SCHEMBL9777289 | 0.86 | — | — | |
| SCHEMBL28183430 | 0.86 | — | — | |
| Isopropylamine SCHEMBL28394510 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL6303349 | 0.81 | TSHR (0.47) | — | |
| SCHEMBL2169037 | 0.78 | — | — | |
| SCHEMBL9436851 | 0.76 | — | — | |
| SCHEMBL2363061 | 0.76 | — | — | |
| SCHEMBL8496912 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114846083-A | Sealant composition | 美国陶氏有机硅公司 | 2022-08-02 | — | — | CN | disclosed |
| CN-114206488-A | Method for manufacturing microcapsules containing a lipophilic active ingredient, microcapsules produced by said method and uses thereof | 微胶囊科技公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-114086170-A | Pretreating agent and chemical conversion treating agent | 日本帕卡濑精株式会社 | 2022-02-25 | — | — | CN | disclosed |