⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703017 | 0.79 | THRB (0.38) | — | |
| SCHEMBL26108286 | 0.77 | — | — | |
| SCHEMBL2215309 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL6754659 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL21967101 | 0.69 | LPAR2 (0.31) | — | |
| SCHEMBL21967108 | 0.69 | LPAR2 (0.31) | — | |
| Urea SCHEMBL28739349 | 0.67 | HCAR2 (0.31) | — | |
| SCHEMBL17789888 | 0.67 | — | — | |
| SCHEMBL21967112 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL21967094 | 0.66 | TSHR (0.32) | — |
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-5331077-A | Alkenyl group-containing organo(poly)siloxanes | WACKER-CHEMIE GMBH | 1994-07-19 | — | — | US | disclosed |
| EP-0549971-A1 | Alkenyl group containing organopolysiloxanes | WACKER-CHEMIE GMBH (DE) | 1993-07-07 | — | — | EP | disclosed |