⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35926 | 0.97 | — | — | |
| SCHEMBL11593688 | 0.97 | — | — | |
| SCHEMBL29749676 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27620997 | 0.94 | — | — | |
| Chloromethane SCHEMBL28011683 | 0.91 | — | — | |
| Ethane SCHEMBL27456190 | 0.91 | — | — | |
| Vinyl Chloride SCHEMBL27810207 | 0.91 | — | — | |
| SCHEMBL28755946 | 0.88 | CA2 (0.31) | — | |
| Propane SCHEMBL27332347 | 0.88 | TSHR (0.30) | — | |
| Cyclopropane SCHEMBL27844883 | 0.88 | — | — |
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-105622469-A | Preparation method of alkyl sulfonyl chloride containing nitrogen and fluorine | HANDE SCIENCES CO LTD | 2016-06-01 | — | — | CN | disclosed |
| CN-104797595-A | Method for producing proteolytically processed polypeptide | SYNTAXIN LTD | 2015-07-22 | — | — | CN | disclosed |