⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5259773 | 0.72 | — | — | |
| SCHEMBL15535793 | 0.69 | — | — | |
| SCHEMBL19813735 | 0.67 | — | — | |
| SCHEMBL15854757 | 0.67 | — | — | |
| SCHEMBL14354430 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6796156 | 0.65 | — | — | |
| SCHEMBL3300416 | 0.64 | — | — | |
| SCHEMBL9724360 | 0.64 | — | — | |
| SCHEMBL8691101 | 0.61 | CYP1A2 (0.34) | — | |
| SCHEMBL15064873 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001253884-A | TRIMETHYLSILYLETHYLSULFIDE COMPOUND HAVING PLURAL ACETYLENE GROUPS AND METHOD FOR PRODUCING THE SAME | NATL INST OF ADVANCED INDUSTRIAL SCIENCE & TECHNOLOGY METI | 2001-09-18 | — | — | JP | disclosed |