⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL28213450 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27286087 | 0.78 | ALDH1A1 (0.46) | — | |
| Propene SCHEMBL27574431 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27498045 | 0.78 | — | — | |
| Butadiene SCHEMBL896198 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL27303656 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL27285187 | 0.77 | — | — | |
| Vinyl Chloride SCHEMBL9124233 | 0.76 | — | — | |
| Vinyl Chloride SCHEMBL27505520 | 0.76 | — | — | |
| Acrylonitrile SCHEMBL5676691 | 0.75 | — | — |
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-6037070-A | Magnetic recording medium and method for manufacturing binder for magnetic recording medium | FUJI PHOTO FILM CO., LTD. (JP) | 2000-03-14 | — | — | US | disclosed |
| US-5243011-A | Low volitile organic compounds, blocked tetramethylxylylene diisocyanate prepolymer, blocked polyisocyanate | CARGILL, INCORPORATED (US) | 1993-09-07 | — | — | US | disclosed |