⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2103610 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL896150 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL1538811 | 0.89 | ALDH1A1 (0.30) | — | |
| SCHEMBL7052267 | 0.84 | — | — | |
| SCHEMBL5031014 | 0.77 | — | — | |
| SCHEMBL8424584 | 0.77 | — | — | |
| SCHEMBL17966500 | 0.76 | — | — | |
| SCHEMBL31461249 | 0.74 | — | — | |
| SCHEMBL1314283 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL133415 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0534700-B1 | Process for cycloalkyl substitution of hydrogen containing silanes | DOW CORNING (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0534700-A1 | Process for cycloalkyl substitution of hydrogen containing silanes | DOW CORNING CORPORATION (US) | 1993-03-31 | — | — | EP | disclosed |
| US-5118829-A | Organoborane compound catalyst | DOW CORNING CORPORATION (US) | 1992-06-02 | — | — | US | disclosed |