⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6004144 | 0.94 | — | — | |
| SCHEMBL9818733 | 0.94 | — | — | |
| SCHEMBL1332091 | 0.94 | — | — | |
| SCHEMBL35161 | 0.94 | — | — | |
| Water SCHEMBL27537799 | 0.89 | — | — | |
| Fluoride SCHEMBL28061709 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL27605334 | 0.89 | — | — | |
| Bromide SCHEMBL27265931 | 0.89 | — | — | |
| SCHEMBL28894528 | 0.89 | — | — | |
| SCHEMBL29506885 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108047160-A | 2- (2- benzyls hydrazono-) -5- acyl groups thiazoles and its medical usage | 湖南大学 | 2018-05-18 | — | — | CN | disclosed |
| CN-105126915-A | Composite catalyst used for preparing nitrobenzoic acid and application thereof | QIANJIANG FUYANG CHEMICAL CO LTD | 2015-12-09 | — | — | CN | disclosed |