⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL231118 | 1.00 | — | — | |
| SCHEMBL15625119 | 0.79 | — | — | |
| SCHEMBL28302627 | 0.78 | — | — | |
| SCHEMBL30605045 | 0.78 | — | — | |
| SCHEMBL1745890 | 0.78 | — | — | |
| SCHEMBL5364824 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL14125625 | 0.75 | — | — | |
| SCHEMBL17238958 | 0.74 | — | — | |
| SCHEMBL905116 | 0.74 | — | — | |
| SCHEMBL2653128 | 0.74 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| US-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-07-20 | — | — | US | disclosed |