⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6640905 | 0.88 | HIF1A (0.35) | — | |
| SCHEMBL447191 | 0.78 | — | — | |
| SCHEMBL7152186 | 0.78 | — | — | |
| SCHEMBL5156789 | 0.78 | — | — | |
| SCHEMBL21293786 | 0.78 | — | — | |
| SCHEMBL567668 | 0.78 | TDP1 (0.31) | — | |
| SCHEMBL4502028 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL6007388 | 0.78 | ADH1B (0.37) | — | |
| SCHEMBL937940 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL6209232 | 0.77 | ADH1C (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101941964-A | Has the Chemokine Receptors bonded heterogeneous ring compound that promotes effect | ANORMED INC | 2011-01-12 | — | — | CN | disclosed |
| CN-1777423-A | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | ANORMED INC (CA) | 2006-05-24 | — | — | CN | disclosed |
| EP-0556585-A2 | Condensed camptothecin derivatives their production and use as antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-08-25 | — | — | EP | disclosed |
| CN-1060291-A | The novel method of preparation 6-acyl group-7-deacetylforskolin derivatives | HOECHST JAPAN (JP) | 1992-04-15 | — | — | CN | disclosed |