⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10567183 | 0.95 | — | — | |
| SCHEMBL18335401 | 0.66 | — | — | |
| SCHEMBL7494363 | 0.64 | — | — | |
| SCHEMBL7503469 | 0.64 | — | — | |
| Cyclohexane SCHEMBL18335400 | 0.62 | TSHR (0.37) | — | |
| SCHEMBL11432079 | 0.61 | — | — | |
| SCHEMBL17136139 | 0.60 | — | — | |
| SCHEMBL22686876 | 0.60 | — | — | |
| SCHEMBL18335402 | 0.60 | — | — | |
| SCHEMBL18335375 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4855318-A | OF 1,3-DIOXOLANES OR -DIOXANES, OR TETRAHYDROFURANS OR -PYRANS | BAYER AKTIENGESELLSCHAFT (DE) | 1989-08-08 | — | — | US | disclosed |
| US-4719227-A | Iodopropargyl cyclic ethers useful as Microbicidal agents | BAYER AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |