⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18793909 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL8975953 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27903085 | 0.67 | — | — | |
| SCHEMBL9596355 | 0.67 | — | — | |
| SCHEMBL13148560 | 0.67 | — | — | |
| SCHEMBL28871004 | 0.67 | — | — | |
| SCHEMBL9978230 | 0.67 | — | — | |
| SCHEMBL17993922 | 0.67 | — | — | |
| SCHEMBL42320 | 0.65 | — | — | |
| SCHEMBL2059977 | 0.65 | — | — |
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-3727596-A1 | MASCARA COMPOSITION CONTAINING A TETRAHYDROXYPROPYL ETHYLENEDIAMINE ESTER | LVMH Recherche (FR) | 2020-10-28 | — | — | EP | disclosed |
| WO-2019122727-A1 | MASCARA COMPOSITION CONTAINING A TETRAHYDROXYPROPYL ETHYLENEDIAMINE ESTER | LVMH RECHERCHE (FR) | 2019-06-27 | — | — | WO | disclosed |