⚠ 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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL9455190 | 0.93 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL2064568 | 0.93 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL7160162 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116903835-A | Polyester containing acetal structure and preparation method thereof | 大连理工大学 | 2023-10-20 | — | — | CN | disclosed |
| US-20140072819-A1 | COMPOSITION FOR FORMING FERROELECTRIC THIN FILM, METHOD FOR FORMING THIN FILM AND THIN FILM FORMED USING THE SAME METHOD | MITSUBISHI MATERIALS CORPORATION (JP) | 2014-03-13 | — | — | US | disclosed |
| EP-2706049-A1 | Composition for forming ferroelectric thin film, method for forming thin film and thin film formed using the same method | Mitsubishi Materials Corporation (JP) | 2014-03-12 | — | — | EP | disclosed |