⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4733767 | 1.00 | — | — | |
| SCHEMBL15743384 | 0.71 | — | — | |
| SCHEMBL28438556 | 0.71 | — | — | |
| SCHEMBL2637176 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL11389734 | 0.69 | — | — | |
| SCHEMBL2951634 | 0.67 | — | — | |
| SCHEMBL3908634 | 0.65 | — | — | |
| SCHEMBL4050156 | 0.65 | — | — | |
| SCHEMBL652266 | 0.62 | — | — | |
| SCHEMBL3284394 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070276142-A1 | Catalytic Asymmetric Synthesis of Optically Active Alpha-Halo-Carbonyl Compounds | CHEMINOVA A/S (DK) | 2007-11-29 | — | — | US | disclosed |
| EP-1716088-A1 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE ALPHA-HALO-CAR BONYL COMPOUNDS | Cheminova A/S (DK) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080298-A1 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE α-HALO-CARBONYL COMPOUNDS | CHEMINOVA A/S (DK) | 2005-09-01 | — | — | WO | disclosed |