⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL7161235 | 0.86 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27654301 | 0.86 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28296965 | 0.84 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.84 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3080739 | 0.84 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL8322448 | 0.84 | ALDH1A1 (1.00) | — | |
| Acetic Acid Methyl Ester SCHEMBL7653979 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL23092253 | 0.81 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL147887 | 0.81 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL21591845 | 0.81 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679939-B1 | Acyl substituted oxonol dyes | EASTMAN KODAK CO (US) | 2001-11-14 | — | — | EP | disclosed |
| WO-1997045109-A1 | PROCESS OF PREPARING 2,2'-(1-METHYL-1,2-ETHANEDIYLIDENE)BIS[HYDRAZINE CARBOXIMIDAMIDE] | SANOFI (FR) | 1997-12-04 | — | — | WO | disclosed |
| US-5659083-A | REACTING AMINOBICARBONATE WITH METHYLGLYOXAL DIMETHYL ACETAL IN AQUEOUS ISOPROPANOL MEDIUM | SANOFI (FR) | 1997-08-19 | — | — | US | disclosed |
| EP-0782984-A2 | Process of preparing 2-2'-(1-Methyl-1,2-Ethanediylidene) bis (Hydrazine carboximidamide) | SANOFI (FR) | 1997-07-09 | — | — | EP | disclosed |
| EP-0679939-A1 | Acyl substituted oxonol dyes | EASTMAN KODAK COMPANY (US) | 1995-11-02 | — | — | EP | disclosed |
| US-5451494-A | Photographic elements containing acyl substituted oxonol dyes | EASTMAN KODAK COMPANY (US) | 1995-09-19 | — | — | US | disclosed |
| US-5015554-A | Comprising an acid-forming photosensitive compound, an acid-cleavable diacetal and a water insoluble binder; photoresists; plasticizing; flexible films | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-14 | — | — | US | disclosed |