⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4281948 | 0.78 | — | — | |
| SCHEMBL28883579 | 0.70 | — | — | |
| Propylene Oxide SCHEMBL27896136 | 0.68 | — | — | |
| SCHEMBL7155185 | 0.67 | — | — | |
| SCHEMBL13822191 | 0.67 | — | — | |
| SCHEMBL620058 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL15094274 | 0.65 | — | — | |
| SCHEMBL990066 | 0.65 | — | — | |
| SCHEMBL5323324 | 0.65 | — | — | |
| SCHEMBL15131434 | 0.65 | ALDH1A1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180072696-A1 | SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES | NATIONAL SCIENCE FOUNDATION | 2018-03-15 | — | — | US | disclosed |
| US-9676743-B2 | Substituted 3-hydroxy-δ-lactones from epoxides | CORNELL UNIVERSITY (US) | 2017-06-13 | — | — | US | disclosed |
| US-20140107339-A1 | SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES | CORNELL UNIVERSITY (US) | 2014-04-17 | — | — | US | disclosed |
| US-8530677-B2 | Substituted 3-hydroxy-delta-lactones from epoxides | CORNELL UNIVERSITY (US) | 2013-09-10 | — | — | US | disclosed |
| US-20100145046-A1 | Substituted 3-hydroxy-delta-lactones from epoxides | ENERGY, UNITED STATES DEPARTMENT OF | 2010-06-10 | — | — | US | disclosed |