⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL948917 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL43431 | 0.78 | CES2 (0.40) | — | |
| SCHEMBL28309364 | 0.77 | CES2 (0.34) | — | |
| SCHEMBL8626933 | 0.77 | CES2 (0.34) | — | |
| SCHEMBL28223431 | 0.76 | CES2 (0.33) | — | |
| SCHEMBL11867734 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL5017692 | 0.74 | CES2 (0.32) | — | |
| Acetic Acid SCHEMBL4207570 | 0.72 | PGR (0.32) | — | |
| Acetic Acid SCHEMBL2454947 | 0.72 | PGR (0.32) | — | |
| SCHEMBL3417704 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011157444-A1 | FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-12-22 | — | — | WO | disclosed |
| US-4275250-A | CHEMICAL INTERMEDIATES FOR VINYLCYCLOPROPANE CARBOXYLIC ACID ESTERS OF HALOGENATED BENZYL ALCOHOL WHICH ARE ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-06-23 | — | — | US | disclosed |
| US-4183950-A | Combating arthropods with 2,2-dimethyl-3-vinyl-cyclopropane carboxylic acid esters of halogenated benzyl alcohols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-15 | — | — | US | disclosed |