⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3808417 | 0.93 | — | — | |
| Butadiene SCHEMBL84577 | 0.91 | — | — | |
| SCHEMBL3665682 | 0.87 | — | — | |
| SCHEMBL6887354 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7645692 | 0.85 | — | — | |
| SCHEMBL88061 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL5969064 | 0.82 | — | — | |
| SCHEMBL5969262 | 0.80 | — | — | |
| SCHEMBL2297055 | 0.78 | — | — | |
| Butadiene SCHEMBL7592871 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030032549-A1 | Salts of lewis acid/acid adducts and catalyst activators therefrom | DOW GLOBAL TECHNOLOGIES INC. | 2003-02-13 | — | — | US | disclosed |