⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2527818 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL15400491 | 0.74 | — | — | |
| SCHEMBL6244106 | 0.67 | — | — | |
| SCHEMBL1196226 | 0.67 | — | — | |
| SCHEMBL9507353 | 0.67 | — | — | |
| SCHEMBL11501652 | 0.67 | — | — | |
| SCHEMBL367291 | 0.67 | — | — | |
| Water SCHEMBL7976638 | 0.65 | — | — | |
| SCHEMBL308453 | 0.64 | — | — | |
| SCHEMBL2930679 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8420861-B2 | Anti-tumor compounds derived from 1,4,5,8-tetrachloroanthraquinone | ISHMAEL D RICHARD (US) | 2013-04-16 | — | — | US | disclosed |
| US-20090156807-A1 | Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone | ISHMAEL D RICHARD | 2009-06-18 | — | — | US | disclosed |