⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL243362 | 0.90 | — | — | |
| SCHEMBL2458962 | 0.78 | — | — | |
| SCHEMBL15145511 | 0.78 | — | — | |
| Butadiene Epoxide SCHEMBL6067380 | 0.73 | TDP1 (0.56) | — | |
| SCHEMBL15145510 | 0.73 | — | — | |
| SCHEMBL16238907 | 0.73 | — | — | |
| SCHEMBL372314 | 0.71 | — | — | |
| Methacrylic Acid SCHEMBL3025698 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL14721109 | 0.69 | — | — | |
| SCHEMBL371961 | 0.69 | — | — |
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-4480137-A | ALDEHYDES FROM ALPHA-OLEFINS; HEAT RESISTANCE; CATALYST SELECTIVITY | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1984-10-30 | — | — | US | disclosed |
| US-4454353-A | Trihydrocarbyl silyl substituted alkyl diaryl phosphine transition metal complexes and their use as homogeneous hydroformylation-aldolization catalysts | EXXON RESEARCH AND ENGINEERING CO. (US) | 1984-06-12 | — | — | US | disclosed |
| US-4450299-A | ALDEHYDES FROM UNSATURATED ACYCLIC HYDROCARBONS, CARBON MONOXIDE AND HYDROGEN | EXXON RESEARCH AND ENGINEERING CO. (US) | 1984-05-22 | — | — | US | disclosed |