⚠ 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 | |
|---|---|---|---|---|
| Butenyl Isothiocyanate SCHEMBL28977602 | 1.00 | — | — | |
| SCHEMBL29474198 | 0.79 | — | — | |
| SCHEMBL30484264 | 0.79 | — | — | |
| SCHEMBL27955159 | 0.72 | — | — | |
| SCHEMBL3347191 | 0.72 | — | — | |
| SCHEMBL4946814 | 0.72 | — | — | |
| SCHEMBL6855060 | 0.72 | — | — | |
| SCHEMBL29474201 | 0.72 | FAAH (0.43) | — | |
| SCHEMBL6862896 | 0.71 | — | — | |
| SCHEMBL8710881 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3681476-B1 | TRANSDERMAL FORMULATIONS | TYME INC (US) | 2022-09-14 | — | — | EP | claimed |
| CN-116096824-B | Modified natural product and use thereof | 大金工业株式会社 | 2025-04-29 | — | — | CN | disclosed |
| CN-118987098-A | Volatile oil for treating cold syndrome of armed force and preparation method thereof, traditional Chinese medicine extract and pharmaceutical preparation | 北京同仁堂股份有限公司 | 2024-11-22 | — | — | CN | disclosed |
| CN-116096824-A | Modified natural product and use thereof | 大金工业株式会社 | 2023-05-09 | — | — | CN | disclosed |
| CN-113318205-B | Traditional Chinese medicine composition for treating pleural effusion and pericardial effusion | 吉林省中医药科学院（吉林省中医药科学院第一临床医院） | 2022-10-28 | — | — | CN | disclosed |
| EP-3681476-B1 | TRANSDERMAL FORMULATIONS | TYME INC (US) | 2022-09-14 | — | — | EP | disclosed |
| WO-2022065382-A1 | MODIFIED NATURAL MATERIAL AND USE THEREOF | ダイキン工業株式会社 | 2022-03-31 | — | — | WO | disclosed |