⚠ 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 SCHEMBL9455190 | 1.00 | ALDH1A1 (0.93) | — | |
| Benzaldehyde SCHEMBL27511497 | 0.97 | ALDH1A1 (0.88) | — | |
| Benzaldehyde SCHEMBL28228478 | 0.97 | ALDH1A1 (0.88) | — | |
| Benzaldehyde SCHEMBL6061133 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL22400699 | 0.97 | ALDH1A1 (1.00) | — | |
| Benzaldehyde SCHEMBL10051945 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL9236967 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL1330097 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL573 | 0.97 | — | — | |
| Benzaldehyde SCHEMBL896024 | 0.97 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108863984-A | For detecting Mg2+、Fe3+、Cu2+Azacrown ether containing sulfur-fluorenes schiff bases fluorescent molecular probe and preparation method | 德州学院 | 2018-11-23 | — | — | CN | disclosed |
| CN-108863984-A | For detecting Mg2+、Fe3+、Cu2+Azacrown ether containing sulfur-fluorenes schiff bases fluorescent molecular probe and preparation method | 德州学院 | 2018-11-23 | — | — | CN | disclosed |
| CN-108165045-A | Nucleic acid dye compound and its preparation method and application | 广东工业大学 | 2018-06-15 | — | — | CN | disclosed |
| CN-101123959-A | Aryl, heteroaryl and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions thereof for the treatment of human diseases | RENOVIS INC (US) | 2008-02-13 | — | — | CN | disclosed |
| CN-1062263-C | Semicarbazones having CNS activity and pharmaceutical preparations containing same | UNIV SASKATCHEWAN (CA) | 2001-02-21 | — | — | CN | disclosed |
| CN-1190388-A | Semicarbazones having central nervous system activity and pharmaceutical preparations containing the same | UNIV SASKATCHEWAN (CA) | 1998-08-12 | — | — | CN | disclosed |
| US-5403939-A | Reacting a 2-halogenobenzaldehyde with an alkali metal sulfide and again with a monohalogenoacetone | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-04-04 | — | — | US | disclosed |