⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28285913 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL1052279 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL2144168 | 0.76 | — | — | |
| SCHEMBL7260204 | 0.69 | — | — | |
| SCHEMBL197112 | 0.69 | — | — | |
| SCHEMBL8402688 | 0.69 | — | — | |
| SCHEMBL5834228 | 0.69 | — | — | |
| SCHEMBL8795545 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL2803996 | 0.69 | — | — | |
| SCHEMBL686671 | 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 4 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-4451673-A | REACTING OLEFINS WITH CARBON MONOXIDE AND HYDROGEN TO YIELD ALDEHYDES | EXXON RESEARCH AND ENGINEERING CO. (US) | 1984-05-29 | — | — | 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 |