⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1836 | 0.96 | — | — | |
| SCHEMBL11589496 | 0.96 | TSHR (0.50) | — | |
| SCHEMBL30578387 | 0.92 | — | — | |
| Water SCHEMBL28859820 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3741978 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL679855 | 0.92 | — | — | |
| SCHEMBL31506325 | 0.92 | — | — | |
| SCHEMBL4362828 | 0.92 | — | — | |
| Hydrogen Sulfide SCHEMBL28750221 | 0.92 | — | — | |
| Butadiene SCHEMBL19305190 | 0.89 | — | — |
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-9592496-B2 | Catalyst composition and method for preparing same | LG CHEM, LTD. (KR) | 2017-03-14 | — | — | US | disclosed |
| US-20150352534-A1 | CATALYST COMPOSITION AND METHOD FOR PREPARING SAME | LG CHEM, LTD. (KR) | 2015-12-10 | — | — | US | disclosed |
| EP-2937141-A1 | CATALYST COMPOSITION AND METHOD FOR PREPARING SAME | LG Chem, Ltd. (KR) | 2015-10-28 | — | — | EP | disclosed |