⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14625153 | 0.76 | — | — | |
| SCHEMBL11854352 | 0.76 | — | — | |
| SCHEMBL19632759 | 0.75 | — | — | |
| SCHEMBL8820911 | 0.75 | — | — | |
| SCHEMBL2163787 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL3363269 | 0.72 | — | — | |
| SCHEMBL7794827 | 0.72 | — | — | |
| SCHEMBL11820308 | 0.71 | — | — | |
| SCHEMBL9893312 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL443754 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104817442-A | Preparation method for 3, 3-dimethylbutyraldehyde | QINGDAO CHENGHUI SHUANGDA BIOLOG TECHNOLOGY CO LTD | 2015-08-05 | — | — | CN | claimed |
| CN-104817442-A | Preparation method for 3, 3-dimethylbutyraldehyde | QINGDAO CHENGHUI SHUANGDA BIOLOG TECHNOLOGY CO LTD | 2015-08-05 | — | — | CN | disclosed |
| CN-104817442-A | Preparation method for 3, 3-dimethylbutyraldehyde | QINGDAO CHENGHUI SHUANGDA BIOLOG TECHNOLOGY CO LTD | 2015-08-05 | — | — | CN | disclosed |
| US-20070276142-A1 | Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds | CHEMINOVA A/S (DK) | 2007-11-29 | — | — | US | disclosed |