⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9258520 | 0.73 | — | — | |
| SCHEMBL7915199 | 0.73 | — | — | |
| SCHEMBL2763729 | 0.67 | — | — | |
| SCHEMBL16211193 | 0.65 | — | — | |
| SCHEMBL24666653 | 0.64 | — | — | |
| SCHEMBL1130291 | 0.64 | — | — | |
| SCHEMBL3371329 | 0.64 | — | — | |
| SCHEMBL8717679 | 0.62 | — | — | |
| SCHEMBL30167959 | 0.62 | — | — | |
| SCHEMBL7913402 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583260-B2 | Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020151673-A1 | Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation | SHEARES VALERIE V (US) | 2002-10-17 | — | — | US | disclosed |
| US-6344538-B1 | REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2002-02-05 | — | — | US | disclosed |