⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL3868356 | 0.67 | — | — | |
| SCHEMBL17873989 | 0.64 | — | — | |
| SCHEMBL30606802 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6732428 | 0.64 | — | — | |
| SCHEMBL16341554 | 0.62 | — | — | |
| SCHEMBL16341555 | 0.62 | — | — | |
| Butadiene SCHEMBL21382085 | 0.61 | — | — | |
| Benzene SCHEMBL29110078 | 0.58 | ALDH1A1 (0.30) | — | |
| Propene SCHEMBL28526944 | 0.58 | — | — | |
| SCHEMBL31587944 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8933276-B2 | Heterogeneous chiral catalyst | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-01-13 | — | — | US | disclosed |
| EP-1973656-B1 | HETEROGENEOUS CHIRAL CATALYST | AGENCY SCIENCE TECH & RES (SG) | 2012-05-16 | — | — | EP | disclosed |
| US-20090281358-A1 | HETEROGENEOUS CHIRAL CATALYST | AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH (SG) | 2009-11-12 | — | — | US | disclosed |
| EP-1973656-A4 | HETEROGENEOUS CHIRAL CATALYST | AGENCY SCIENCE TECH & RES (SG) | 2009-08-05 | — | — | EP | disclosed |
| EP-1973656-A1 | HETEROGENEOUS CHIRAL CATALYST | Agency for Science, Technology and Research (SG) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007084075-A1 | HETEROGENEOUS CHIRAL CATALYST | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2007-07-26 | — | — | WO | disclosed |