⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15797821 | 0.72 | — | — | |
| SCHEMBL1752671 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL5794062 | 0.65 | CA1 (0.32) | — | |
| SCHEMBL3789751 | 0.63 | CYP2B6 (0.41) | — | |
| SCHEMBL7437286 | 0.63 | ABCG2 (0.41) | — | |
| SCHEMBL23258707 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL578709 | 0.62 | CYP2A6 (0.32) | — | |
| SCHEMBL5935438 | 0.61 | MAOA (0.38) | — | |
| SCHEMBL11199730 | 0.61 | TSHR (0.39) | — | |
| SCHEMBL7197365 | 0.60 | MAOA (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7812051-B2 | Pharmaceutical compositions of β-lapachone and β-lapachone analogs with improved tumor targeting potential | ARQULE, INC. (US) | 2010-10-12 | — | — | US | disclosed |
| US-20090226395-A1 | Pharmaceutical compositions of beta-lapachone and beta-lapachone analogs with improved tumor targeting potential | ARQULE, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-20060034796-A1 | conjugated to polyglutamic acid for enhanced permeability and retention effect | ARQULE, INC. | 2006-02-16 | — | — | US | disclosed |