⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27552000 | 0.86 | SHBG (0.34) | — | |
| SCHEMBL29270064 | 0.81 | TAAR1 (0.47) | — | |
| SCHEMBL8600868 | 0.76 | NPC1 (0.46) | — | |
| SCHEMBL9066235 | 0.76 | ESR1 (0.33) | — | |
| SCHEMBL8599213 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL3602241 | 0.70 | — | — | |
| SCHEMBL8147137 | 0.70 | — | — | |
| SCHEMBL578291 | 0.69 | NPC1 (0.44) | — | |
| SCHEMBL27867465 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL236446 | 0.67 | SHBG (0.56) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7741242-B2 | Prepared by crosslinking a homogenized an addition polymer containing units from an unsaturated aryl-containing glycidyl ether or ester and an unsaturated alcohol or carboxylic acid and a zero-valent Pd compound to physically deposit the Pd compound on the polymer; oxidizing alcohols to aldehydes | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2010-06-22 | — | — | US | disclosed |
| EP-1537913-B1 | PALLADIUM CATALYST COMPOSITION | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2009-07-01 | — | — | EP | disclosed |
| US-20060019822-A1 | Palladium catalyst composition | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2006-01-26 | — | — | US | disclosed |
| EP-1537913-A1 | PALLADIUM CATALYST COMPOSITION | Wako Pure Chemical Industies, Ltd. (JP) | 2005-06-08 | — | — | EP | disclosed |