⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7527832 | 0.80 | — | — | |
| SCHEMBL122897 | 0.75 | — | — | |
| Isobutane SCHEMBL27493829 | 0.72 | TSHR (0.30) | — | |
| Ethane SCHEMBL5833961 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL8852351 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL5471605 | 0.72 | — | — | |
| Propane SCHEMBL8411429 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL10588655 | 0.68 | — | — | |
| SCHEMBL16843594 | 0.68 | — | — | |
| SCHEMBL1070260 | 0.67 | — | — |
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-6388117-B2 | REACTING AN AMINOORGANOSILANE, A UREA, AND AN ALCOHOL, OR REACTING AN AMINOORGANOSILANE AND A UREA IN AN ALCOHOL SOLVENT TO FORM A UREOORGAOSILANE, WHICH IS THEN REACTED WITH AN ALCOHOL | DEGUSSA AG (DE) | 2002-05-14 | — | — | US | disclosed |
| US-20020016486-A1 | PROCESS FOR PREPARING CARBAMATOORGANOSILANES AND ISOCYANATOORGANOSILANES | DEGUSSA AG (DE) | 2002-02-07 | — | — | US | disclosed |