⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11005601 | 1.00 | — | — | |
| SCHEMBL3168188 | 0.77 | EHMT2 (0.33) | — | |
| SCHEMBL3168181 | 0.77 | EHMT2 (0.33) | — | |
| SCHEMBL14718366 | 0.74 | — | — | |
| SCHEMBL11009018 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL13942636 | 0.69 | — | — | |
| SCHEMBL5177048 | 0.67 | — | — | |
| SCHEMBL5177051 | 0.67 | — | — | |
| SCHEMBL10939968 | 0.67 | — | — | |
| SCHEMBL19261 | 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 2 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 |