⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6910924 | 1.00 | — | — | |
| SCHEMBL15592138 | 0.80 | — | — | |
| SCHEMBL7776522 | 0.80 | — | — | |
| SCHEMBL7776526 | 0.80 | — | — | |
| SCHEMBL15592236 | 0.80 | — | — | |
| SCHEMBL15592149 | 0.80 | — | — | |
| SCHEMBL14616135 | 0.80 | — | — | |
| SCHEMBL6728163 | 0.74 | — | — | |
| SCHEMBL31351464 | 0.74 | — | — | |
| SCHEMBL19708140 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0953560-B1 | Method, catalyst and apparatus for producing acetaldehyde from acetic acid | EASTMAN CHEM CO (US) | 2004-05-26 | — | — | EP | disclosed |
| US-6121498-A | HYDROGENATING ACETIC ACID USING IRON OXIDE CATALYST THAT CONTAINS PALLADIUM, ABSORBING ACETALDEHYDE FROM GASEOUS PRODUCT USING SOLVENT CONTAINING ACETIC ACID | EASTMAN CHEMICAL COMPANY (US) | 2000-09-19 | — | — | US | disclosed |
| US-6114475-A | PROVIDING COMPOUND IN SOLID, LIQUID, OR GASEOUS FORM CAPABLE OF REDUCING THE BOILING POINT OF WATER BY AT LEAST ABOUT 2 DEGREES C, VAPORIZING COMPOUND, PASSING COMPOUND IN GASEOUS FORM INTO COOL REGIONS OF THE SYSTEM TO MIX WITH WATER | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0953560-A1 | Method, catalyst and apparatus for producing acetaldehyde from acetic acid | EASTMAN CHEMICAL COMPANY (US) | 1999-11-03 | — | — | EP | disclosed |