⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1529116 | 0.98 | — | — | |
| SCHEMBL1529226 | 0.83 | — | — | |
| SCHEMBL5286846 | 0.75 | — | — | |
| SCHEMBL5279693 | 0.75 | — | — | |
| SCHEMBL5280831 | 0.70 | — | — | |
| SCHEMBL5283119 | 0.68 | — | — | |
| SCHEMBL5279487 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL5276473 | 0.67 | — | — | |
| SCHEMBL5277739 | 0.65 | AGTR1 (0.30) | — | |
| SCHEMBL5278734 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1859781-A2 | Brightening and/or colouring agent with triazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |
| EP-1391952-A2 | Salts of pentacyclic or tetrapentaline derived anions, and their uses as ionic conductive materials | HYDRO-QUEBEC (CA) | 2004-02-25 | — | — | EP | disclosed |
| EP-0850933-A1 | Salts of pentacyclic or tetrapentaline derived anions, and their uses as ionic conductive materials | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1998-07-01 | — | — | EP | disclosed |