⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55156 | 0.82 | — | — | |
| SCHEMBL8580348 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2275736 | 0.76 | — | — | |
| SCHEMBL27860904 | 0.76 | — | — | |
| Bromide SCHEMBL10578713 | 0.76 | — | — | |
| SCHEMBL4530964 | 0.76 | — | — | |
| Methane SCHEMBL9322966 | 0.76 | — | — | |
| Bromide SCHEMBL5823710 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6263039 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6263034 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009012022-A1 | PREPARATION OF SUPPORTED SILYL-CAPPED SILICA SILICA-BOUND ANION ACTIVATORS AND ASSOCIATED CATALYSTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2009-01-22 | — | — | WO | disclosed |