⚠ 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 | |
|---|---|---|---|---|
| 2-Chloroethanol SCHEMBL17028691 | 0.94 | — | — | |
| 2-Chloroethanol SCHEMBL24987 | 0.94 | — | — | |
| 2-Chloroethanol SCHEMBL29287367 | 0.89 | TSHR (0.40) | — | |
| 2-Chloroethanol SCHEMBL10859110 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL29085741 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL11840930 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL28466221 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL2476327 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL28953165 | 0.89 | — | — | |
| 2-Chloroethanol SCHEMBL27476080 | 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-20100249346-A1 | METALLOCENE COMPOUNDS BASED ON ETHANEDIYL-BRIDGED INDENE AND CYCLOPENTADITHIOPHENE LIGANDS | BASELL POLYOLEFINE GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| EP-2197871-A1 | METALLOCENE COMPOUNDS BASED ON ETHANEDIYL-BRIDGED INDENE AND CYCLOPENTADITHIOPHENE LIGANDS | Basell Polyolefine GmbH (DE) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009050037-A1 | METALLOCENE COMPOUNDS BASED ON ETHANEDIYL-BRIDGED INDENE AND CYCLOPENTADITHIOPHENE LIGANDS | BASELL POLYOLEFINE GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |