⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2833267 | 0.97 | — | — | |
| SCHEMBL15671714 | 0.95 | — | — | |
| SCHEMBL27515329 | 0.90 | — | — | |
| Propene SCHEMBL29074498 | 0.88 | — | — | |
| Vinyl Ether SCHEMBL27936410 | 0.88 | — | — | |
| Vinyl Ether SCHEMBL28594509 | 0.86 | — | — | |
| SCHEMBL9282840 | 0.76 | — | — | |
| SCHEMBL253069 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL1628820 | 0.75 | CA2 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28525016 | 0.74 | — | — |
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-5739365-A | REACTING AMMONIUM BISULFITE WITH ALKYLENE OXIDE, REACTING PRODUCT WITH FATTY ACID | PPG INDUSTRIES, INC. (US) | 1998-04-14 | — | — | US | claimed |