⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8491420 | 0.97 | KCNA3 (0.55) | — | |
| Bromide SCHEMBL28446277 | 0.79 | KCNA3 (0.48) | — | |
| SCHEMBL28839502 | 0.79 | CYP3A4 (0.50) | — | |
| SCHEMBL12027149 | 0.78 | KCNA3 (0.67) | — | |
| SCHEMBL2973709 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30436728 | 0.76 | KCNA3 (0.64) | — | |
| SCHEMBL497461 | 0.75 | KCNA3 (0.63) | — | |
| SCHEMBL27962 | 0.75 | KCNA3 (0.82) | — | |
| SCHEMBL5188457 | 0.73 | KCNA3 (0.60) | — | |
| SCHEMBL1025 | 0.73 | KCNA3 (0.88) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997034905-A1 | PHOSPHORUS CONTAINING ARYLOXY AND ARYLTHIOPROPANOL AMINE DERIVATIVES USEFUL AS BETA ADRENORECEPTOR AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-09-25 | — | — | WO | claimed |
| EP-0428423-A2 | Aryloxy alkyl benzenes, processes for their preparation and pharmaceutical compositions containing them | LIPHA S.A. (FR) | 1991-05-22 | — | — | EP | claimed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| US-7214746-B2 | Phosphorus bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-05-08 | — | — | US | disclosed |
| EP-0428423-A2 | Aryloxy alkyl benzenes, processes for their preparation and pharmaceutical compositions containing them | LIPHA S.A. (FR) | 1991-05-22 | — | — | EP | disclosed |