⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6919 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL8893197 | 0.89 | — | — | |
| Methylene Chloride SCHEMBL6362299 | 0.82 | ALDH1A1 (0.33) | — | |
| 1,2-Dichloroethane SCHEMBL4956934 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL4959452 | 0.78 | THRB (0.41) | — | |
| Ethylene Glycol SCHEMBL16740705 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL18639815 | 0.78 | CA1 (0.39) | — | |
| Formic Acid SCHEMBL11590753 | 0.78 | SLC1A3 (0.33) | — | |
| SCHEMBL193836 | 0.78 | — | — | |
| Dioxane SCHEMBL6985191 | 0.76 | TTR (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7586015-B2 | Process for the preparation of 1,3,2-oxazaborolidine compounds | ZACH SYSTEM (FR) | 2009-09-08 | — | — | US | claimed |
| US-20080139851-A1 | R2, R3, R4 and R5 are especially a hydrogen atom or an alkyl,wherein the following are reacted in two steps:a) a boric precursor compound with an acetal compound to give a boronate compound; and) the boronate compound with an amino alcohol compound | PPG-SIPSY (FR) | 2008-06-12 | — | — | US | claimed |