⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7796566 | 0.73 | — | — | |
| SCHEMBL1165054 | 0.71 | — | — | |
| SCHEMBL22437 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL30636 | 0.69 | TSHR (0.56) | — | |
| SCHEMBL14982596 | 0.67 | — | — | |
| SCHEMBL333058 | 0.67 | TSHR (0.53) | — | |
| Cesium SCHEMBL7632120 | 0.67 | TSHR (0.53) | — | |
| Water SCHEMBL22581155 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL22233969 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL9619269 | 0.67 | TSHR (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0808849-B1 | Process for the production of ethylenic polymers | SHOWA DENKO KK (JP) | 2001-12-19 | — | — | EP | disclosed |
| US-6011127-A | CATALYST COMPRISING A CHROMIUM COMPOUND, AN ALUMOXANE AND AN ORGANOMETALLIC ALKOXIDE AND/OR ORGANOMETALLIC SILOXIDE AND A CARRIER SUPPORTING THEREON THESE COMPOUNDS. | SHOWA DENKO K.K. (JP) | 2000-01-04 | — | — | US | disclosed |
| EP-0808849-A1 | Process for the production of ethylenic polymers | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1997-11-26 | — | — | EP | disclosed |