⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12038673 | 0.72 | — | — | |
| SCHEMBL12038676 | 0.72 | — | — | |
| SCHEMBL979584 | 0.72 | — | — | |
| SCHEMBL12908953 | 0.68 | LMNA (0.38) | — | |
| SCHEMBL13947321 | 0.68 | LMNA (0.38) | — | |
| SCHEMBL20045268 | 0.67 | JUN (0.37) | — | |
| SCHEMBL8871735 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL12189516 | 0.61 | LMNA (0.47) | — | |
| SCHEMBL17308871 | 0.61 | LMNA (0.33) | — | |
| SCHEMBL8394986 | 0.60 | KDM4E (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874165-B | Phenethyl ester vinyl ether lactone compound with strigolactone activity and preparation and application thereof | 中国农业大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-114874165-A | Phenethyl ester vinyl ether lactone compound with strigolactone activity as well as preparation and application thereof | 中国农业大学 | 2022-08-09 | — | — | CN | disclosed |
| WO-2013050325-A1 | NEW STRIGOLACTONE ANALOGUES AND THE USE THEREOF FOR THE TREATMENT OF PLANTS | INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) | 2013-04-11 | — | — | WO | disclosed |