⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8401327 | 1.00 | — | — | |
| SCHEMBL515761 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL515760 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL15034490 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL6577279 | 0.80 | — | — | |
| SCHEMBL18689520 | 0.80 | — | — | |
| SCHEMBL3698219 | 0.80 | — | — | |
| SCHEMBL23882014 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL4865125 | 0.78 | — | — | |
| SCHEMBL19204878 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4041455-A | — | — | None | — | — | JP | disclosed |
| EP-0580818-B2 | PROCESS FOR DECOMPOSING ALPHA,BETA-UNSATURATED CARBONYL COMPOUNDS IN REFINING ACETIC ANHYDRIDE AND/OR ACETIC ACID | EASTMAN CHEM CO (US) | 1999-06-09 | — | — | EP | disclosed |
| EP-0580818-B1 | PROCESS FOR DECOMPOSING $g(a),$g(b)-UNSATURATED CARBONYL COMPOUNDS IN REFINING ACETIC ANHYDRIDE AND/OR ACETIC ACID | EASTMAN CHEM CO (US) | 1996-01-03 | — | — | EP | disclosed |
| EP-0563124-B1 | CONTINUOUS PROCESS FOR THE PREPARATION OF ACETIC ANHYDRIDE OR MIXTURES OF ACETIC ANHYDRIDE AND ACETIC ACID | EASTMAN CHEM CO (US) | 1995-03-29 | — | — | EP | disclosed |
| US-5292948-A | Carbonylating a mixture of methyl iodide and methyl acetate and or dimethyl ether in the presence of a random catalyst and a promoter | EASTMAN KODAK COMPANY (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0580818-A1 | PROCESS FOR DECOMPOSING -g(a),-g(b)-UNSATURATED CARBONYL COMPOUNDS IN REFINING ACETIC ANHYDRIDE AND/OR ACETIC ACID. | EASTMAN KODAK CO (US) | 1994-02-02 | — | — | EP | disclosed |
| EP-0563124-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF ACETIC ANHYDRIDE OR MIXTURES OF ACETIC ANHYDRIDE AND ACETIC ACID. | EASTMAN KODAK CO (US) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992018456-A1 | PROCESS FOR DECOMPOSING α,β-UNSATURATED CARBONYL COMPOUNDS IN REFINING ACETIC ANHYDRIDE AND/OR ACETIC ACID | EASTMAN KODAK COMPANY (US) | 1992-10-29 | — | — | WO | disclosed |
| WO-1992011226-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF ACETIC ANHYDRIDE OR MIXTURES OF ACETIC ANHYDRIDE AND ACETIC ACID | EASTMAN KODAK COMPANY (US) | 1992-07-09 | — | — | WO | disclosed |
| JP-H0441455-A | PRODUCTION OF 3-OXO-ALPHA-IONONE | SODA KORYO KK | 1992-02-12 | — | — | JP | disclosed |