⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL27405999 | 0.84 | — | — | |
| Butane SCHEMBL705926 | 0.84 | — | — | |
| Acetaldehyde SCHEMBL1331732 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL27375667 | 0.82 | TSHR (1.00) | — | |
| Acetaldehyde SCHEMBL6747 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL3945841 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL20411618 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL1330497 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL2338299 | 0.82 | — | — | |
| Acetaldehyde SCHEMBL662140 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0624578-B1 | Purification of propylene oxide | HUNTSMAN SPEC CHEM CORP (US) | 1998-12-23 | — | — | EP | disclosed |
| EP-0624578-A1 | Purification of propylene oxide | TEXACO CHEMICAL INC. (US) | 1994-11-17 | — | — | EP | disclosed |