⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6408906 | 1.00 | — | — | |
| SCHEMBL9319963 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL21291793 | 0.75 | — | — | |
| SCHEMBL27352570 | 0.73 | THRB (0.31) | — | |
| SCHEMBL20175819 | 0.69 | — | — | |
| SCHEMBL24081529 | 0.67 | — | — | |
| SCHEMBL1072006 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL11125449 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL936585 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL18649812 | 0.67 | — | — |
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-20050090418-A1 | Washing agent for an automatic dishwasher | KUMANO YUSHI CO., LTD. (JP) | 2005-04-28 | — | — | US | disclosed |
| EP-0428970-B1 | Process for preparing aqueous solutions or suspensions of quaternization products of tertiary aminoalkylesters or tertiary aminoalkylamides of acrylic or methacrylic acid, for instance of dimethylaminoethyl-acrylate-methochloride | BASF AG (DE) | 1994-01-19 | — | — | EP | disclosed |
| EP-0113038-B1 | PROCESS FOR PREPARING CONCENTRATED AQUEOUS SOLUTIONS OF QUATERNIZED PRODUCTS FROM TERTIARY AMINO ALKYL ESTERS OR AMIDES OF ACRYLIC OR METHACRYLIC ACIDS | BASF Aktiengesellschaft (DE) | 1986-09-10 | — | — | EP | disclosed |
| EP-0113038-A2 | Process for preparing concentrated aqueous solutions of quaternized products from tertiary amino alkyl esters or amides of acrylic or methacrylic acids | BASF Aktiengesellschaft (DE) | 1984-07-11 | — | — | EP | disclosed |