⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19322192 | 0.78 | — | — | |
| SCHEMBL29059482 | 0.77 | HMGCR (0.31) | — | |
| SCHEMBL14914212 | 0.72 | HMGCR (0.40) | — | |
| SCHEMBL818454 | 0.72 | HMGCR (0.40) | — | |
| SCHEMBL15188655 | 0.69 | HMGCR (0.35) | — | |
| SCHEMBL9715012 | 0.69 | HMGCR (0.35) | — | |
| T-Butylacetic Acid SCHEMBL71379 | 0.69 | — | — | |
| SCHEMBL92062 | 0.69 | — | — | |
| T-Butylacetic Acid SCHEMBL10950588 | 0.69 | HMGCR (0.61) | — | |
| SCHEMBL275992 | 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-109020778-A | The manufacturing method of dry etching gases | 大金工业株式会社 | 2018-12-18 | — | — | CN | claimed |
| 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 |