⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133153 | 0.97 | — | — | |
| SCHEMBL1446235 | 0.93 | — | — | |
| SCHEMBL30442526 | 0.93 | — | — | |
| Dimethyl Sulfoxide SCHEMBL28115041 | 0.83 | ALDH1A1 (0.74) | — | |
| Tromethamine SCHEMBL1890834 | 0.79 | ALDH1A1 (0.67) | — | |
| SCHEMBL437912 | 0.78 | — | — | |
| Furan SCHEMBL28845770 | 0.77 | TDP1 (0.64) | — | |
| SCHEMBL2167079 | 0.75 | — | — | |
| Bromide SCHEMBL27445704 | 0.75 | — | — | |
| SCHEMBL66347 | 0.73 | — | — |
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-105218474-A | The synthetic method of (4R, 5R)-2-dichloromethyl-4,5-dihydro-5-(4-methylsulfonyl phenyl)-4-oxazole methyl alcohol | SHANDONG GUOBANG PHARMACEUTICAL CO LTD | 2016-01-06 | — | — | CN | claimed |
| CN-116102436-A | New process for preparing serinol | 江西仙康药业有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-105218474-A | The synthetic method of (4R, 5R)-2-dichloromethyl-4,5-dihydro-5-(4-methylsulfonyl phenyl)-4-oxazole methyl alcohol | SHANDONG GUOBANG PHARMACEUTICAL CO LTD | 2016-01-06 | — | — | CN | disclosed |