⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10818177 | 1.00 | — | — | |
| SCHEMBL439965 | 1.00 | — | — | |
| SCHEMBL175430 | 1.00 | — | — | |
| Fluoride SCHEMBL6066129 | 0.90 | — | — | |
| Bromide SCHEMBL2359811 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL459898 | 0.90 | — | — | |
| Iodide SCHEMBL2359398 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL30241 | 0.90 | — | — | |
| SCHEMBL7135209 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29790 | 0.90 | TSHR (0.36) | — |
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-20080058474-A1 | Rubber Composition and Golf Ball Having The Same | UBE INDUSTRIES, LTD. (JP) | 2008-03-06 | — | — | US | disclosed |
| EP-1840162-A1 | RUBBER COMPOSITION AND GOLF BALL EMPLOYING THE SAME | Ube Industries, Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |
| EP-0828745-B1 | CONVERSION OF DEEP INTERNAL OLEFINS INTO PRIMARY ALKYL ALUMINUM COMPOUNDS BY ISOMERIZATION-DISPLACEMENT | ALBEMARLE CORP (US) | 2000-09-13 | — | — | EP | disclosed |
| EP-0828745-A1 | CONVERSION OF DEEP INTERNAL OLEFINS INTO PRIMARY ALKYL ALUMINUM COMPOUNDS BY ISOMERIZATION-DISPLACEMENT | ALBEMARLE CORPORATION (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5597937-A | REACTION WITH PRIMARY ALKYL ALUMINUM CHLORIDE IN PRESENCE OF DICYCLOPENTADIENYL METAL DIHALIDE OR HALOHYDRIDE | ALBEMARLE CORPORATION (US) | 1997-01-28 | — | — | US | disclosed |
| WO-1996035693-A1 | CONVERSION OF DEEP INTERNAL OLEFINS INTO PRIMARY ALKYL ALUMINUM COMPOUNDS BY ISOMERIZATION-DISPLACEMENT | ALBEMARLE CORPORATION (US) | 1996-11-14 | — | — | WO | disclosed |