⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27420435 | 0.75 | — | — | |
| SCHEMBL29256284 | 0.74 | — | — | |
| SCHEMBL9557333 | 0.73 | — | — | |
| SCHEMBL10813455 | 0.72 | — | — | |
| SCHEMBL10045830 | 0.70 | — | — | |
| SCHEMBL6836241 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL28146112 | 0.70 | — | — | |
| SCHEMBL910471 | 0.70 | — | — | |
| SCHEMBL29699725 | 0.67 | — | — | |
| SCHEMBL5586687 | 0.67 | — | — |
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-102249902-B | Preparation method of 1-chloroformyl-2-ethoxy naphthalene crystal | NORTH PHARMACEUTICAL GROUP SHANXI BOKANG PHARMACEUTICAL CO LTD | 2013-11-27 | — | — | CN | claimed |
| CN-102249902-A | Preparation method of 1-chloroformyl-2-ethoxy naphthalene crystal | NORTH PHARMACEUTICAL GROUP SHANXI BOKANG PHARMACEUTICAL CO LTD | 2011-11-23 | — | — | CN | claimed |
| CN-86107795-A | The triazole compounds of coordinate plant growth | — | 1987-06-03 | — | — | CN | disclosed |