⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL209813 | 0.74 | — | — | |
| SCHEMBL21444764 | 0.69 | — | — | |
| SCHEMBL84630 | 0.67 | — | — | |
| SCHEMBL23898155 | 0.65 | — | — | |
| Fluoride SCHEMBL779650 | 0.64 | — | — | |
| SCHEMBL19306475 | 0.61 | — | — | |
| SCHEMBL25057170 | 0.61 | — | — | |
| SCHEMBL22327055 | 0.61 | — | — | |
| SCHEMBL152843 | 0.59 | — | — | |
| SCHEMBL18335409 | 0.59 | — | — |
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-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | claimed |
| CN-104807895-A | Method for analyzing distribution of sulfur in methyl tert-butyl ether, sulfide qualitative analysis database, and use of database | CHINA PETROLEUM & CHEMICAL | 2015-07-29 | — | — | CN | disclosed |