⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8460755 | 1.00 | — | — | |
| SCHEMBL10489208 | 0.83 | — | — | |
| SCHEMBL10489207 | 0.83 | — | — | |
| SCHEMBL11096308 | 0.76 | — | — | |
| SCHEMBL31435411 | 0.73 | — | — | |
| SCHEMBL3647756 | 0.72 | — | — | |
| SCHEMBL9875828 | 0.72 | — | — | |
| SCHEMBL9875820 | 0.72 | — | — | |
| SCHEMBL14280005 | 0.71 | — | — | |
| SCHEMBL3382992 | 0.71 | — | — |
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-0909268-A1 | METHOD FOR PREPARING SUBSTITUTED ANTHRAQUINONE AND APPLICATION TO THE PREPARATION OF RHEINS | Girex (FR) | 1999-04-21 | — | — | EP | disclosed |
| WO-1998033757-A1 | METHOD FOR PREPARING SUBSTITUTED ANTHRAQUINONE AND APPLICATION TO THE PREPARATION OF RHEINS | GIREX (FR) | 1998-08-06 | — | — | WO | disclosed |