⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160834 | 0.87 | — | — | |
| SCHEMBL472894 | 0.84 | — | — | |
| SCHEMBL15674500 | 0.84 | — | — | |
| Trimethylammonium SCHEMBL27789702 | 0.80 | — | — | |
| SCHEMBL14735547 | 0.70 | — | — | |
| SCHEMBL5485754 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL3512754 | 0.66 | GAA (0.30) | — | |
| SCHEMBL27877890 | 0.66 | GAA (0.30) | — | |
| SCHEMBL6666453 | 0.65 | — | — | |
| SCHEMBL9458712 | 0.64 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6414176-B2 | REACTING ACETYLENIC HYDROCARBONS WITH LIQUID PHASE SILANES IN PRESENCE OF KARSTEDT CATALYST, WHEREIN ACETYLENIC HYDROCARBON IS REPLENISHED WHILE MAINTAINING PRESSURE | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-02 | — | — | US | disclosed |
| US-20020016422-A1 | Preparation of vinylsilanes | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-07 | — | — | US | disclosed |