⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2098624 | 0.74 | — | — | |
| SCHEMBL28810341 | 0.72 | — | — | |
| SCHEMBL131740 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7906356 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7906353 | 0.67 | — | — | |
| SCHEMBL7765032 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL705202 | 0.65 | — | — | |
| SCHEMBL2743844 | 0.62 | — | — | |
| SCHEMBL15161898 | 0.62 | — | — | |
| SCHEMBL524075 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080154049-A1 | for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. | SHASUN PHARMA SOLUTIONS LIMITED (GB) | 2008-06-26 | — | — | US | claimed |
| US-20080154049-A1 | for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. | SHASUN PHARMA SOLUTIONS LIMITED (GB) | 2008-06-26 | — | — | US | disclosed |