⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4971363 | 0.95 | — | — | |
| SCHEMBL4748477 | 0.95 | ALDH1A1 (0.54) | — | |
| SCHEMBL20796 | 0.95 | — | — | |
| SCHEMBL8475485 | 0.91 | — | — | |
| Water SCHEMBL6169197 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL49807 | 0.91 | — | — | |
| SCHEMBL6726489 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL897650 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6484802 | 0.91 | — | — | |
| SCHEMBL17289281 | 0.91 | — | — |
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-114315520-B | Method for separating and purifying high-carbon diol by low-temperature crystallization | 中石化南京化工研究院有限公司 | 2024-03-12 | — | — | CN | claimed |
| CN-114315520-A | Method for separating and purifying high-carbon diol through low-temperature crystallization | 中石化南京化工研究院有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-114315520-B | Method for separating and purifying high-carbon diol by low-temperature crystallization | 中石化南京化工研究院有限公司 | 2024-03-12 | — | — | CN | disclosed |