⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5315512 | 0.93 | — | — | |
| SCHEMBL5420413 | 0.74 | — | — | |
| SCHEMBL3363217 | 0.73 | — | — | |
| SCHEMBL9409434 | 0.69 | MEN1 (0.33) | — | |
| SCHEMBL1967230 | 0.69 | — | — | |
| SCHEMBL9145574 | 0.65 | — | — | |
| SCHEMBL7596312 | 0.65 | — | — | |
| SCHEMBL10818951 | 0.65 | — | — | |
| SCHEMBL11097828 | 0.65 | — | — | |
| SCHEMBL9231576 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6646083-B2 | Such as diallyldimethylammonium chloride crosslinked with 1,3-bis(N,N-diallylpiperid-1-ium-4-yl) propane dichloride; thermal stability; use as polymer catalyst for producing glycols from oxiranes; ion exchange catalyst | NIPPON SHOKUBAI CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-20020028887-A1 | Crosslinked polymer, method for manufacturing it and use thereof | NIPPON SHOKUBAI CO., LTD. (JP) | 2002-03-07 | — | — | US | disclosed |