⚠ 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL29221947 | 0.97 | — | — | |
| SCHEMBL466965 | 0.88 | — | — | |
| SCHEMBL335627 | 0.88 | — | — | |
| SCHEMBL7627198 | 0.74 | — | — | |
| SCHEMBL1603317 | 0.74 | — | — | |
| SCHEMBL1603263 | 0.74 | — | — | |
| SCHEMBL1603253 | 0.74 | — | — | |
| SCHEMBL1603958 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6227562 | 0.72 | — | — | |
| SCHEMBL3811064 | 0.70 | — | — |
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-107266929-B | One kind is using Cyanine Dyes Fluorescence group as near infrared fluorescent dye of precursor skeleton structure and the preparation method and application thereof | SICHUAN UNIVERSITY (CN) | 2019-10-29 | — | — | CN | disclosed |
| EP-1741694-A1 | METHOD FOR PRODUCING CYCLOALKANOL AND/OR CYCLOALKANONE | Sumitomo Chemical Company, Limited (JP) | 2007-01-10 | — | — | EP | disclosed |