⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27514079 | 0.76 | — | — | |
| SCHEMBL23287044 | 0.76 | — | — | |
| SCHEMBL1478867 | 0.72 | — | — | |
| SCHEMBL1556408 | 0.69 | — | — | |
| SCHEMBL11013491 | 0.64 | — | — | |
| SCHEMBL18541994 | 0.64 | — | — | |
| SCHEMBL19029714 | 0.64 | — | — | |
| SCHEMBL20290647 | 0.64 | — | — | |
| SCHEMBL14730451 | 0.64 | — | — | |
| SCHEMBL457053 | 0.62 | — | — |
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-4529813-A | Preparation of 2-halogeno-3-alkylvinylcyclobutan-1-one | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-16 | — | — | US | disclosed |
| US-4291176-A | Production of insecticidally active vinyl-cyclopropane carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-22 | — | — | US | disclosed |
| US-4216172-A | Preparation of cyclobutanones | BAYER AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |