⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL434958 | 0.93 | — | — | |
| SCHEMBL2815 | 0.93 | — | — | |
| SCHEMBL27524417 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL10871026 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL6799285 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.93 | — | — | |
| SCHEMBL1817787 | 0.86 | — | — | |
| Ethylene SCHEMBL1276812 | 0.86 | — | — | |
| SCHEMBL21525415 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL4873756 | 0.86 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118373855-A | Preparation method of bis (2-methylallyl) (1, 5-cyclooctadiene) ruthenium (II) | 陕西瑞科新材料股份有限公司 | 2024-07-23 | — | — | CN | claimed |
| CN-108503652-B | Chemical total synthesis preparation method of crotonaldehyde diterpene Prostratin | 西安交通大学 | 2020-08-28 | — | — | CN | claimed |
| CN-118373855-A | Preparation method of bis (2-methylallyl) (1, 5-cyclooctadiene) ruthenium (II) | 陕西瑞科新材料股份有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-118373855-A | Preparation method of bis (2-methylallyl) (1, 5-cyclooctadiene) ruthenium (II) | 陕西瑞科新材料股份有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-108503652-B | Chemical total synthesis preparation method of crotonaldehyde diterpene Prostratin | 西安交通大学 | 2020-08-28 | — | — | CN | disclosed |
| CN-103755525-A | Preparation method for unsaturated alcohol | JIANGSU SUBOTE NEW MAT CO LTD | 2014-04-30 | — | — | CN | disclosed |
| CN-1029562-C | Gear oil compositions | SHELL INT RESEARCH (NL) | 1995-08-23 | — | — | CN | disclosed |
| CN-1061793-A | Gear oil composition | SHELL INT RESEARCH (NL) | 1992-06-10 | — | — | CN | disclosed |