⚠ 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 | |
|---|---|---|---|---|
| Succinic Acid SCHEMBL27888588 | 0.89 | TBXAS1 (0.34) | — | |
| SCHEMBL25280775 | 0.78 | — | — | |
| SCHEMBL19945191 | 0.74 | — | — | |
| SCHEMBL11257472 | 0.71 | TBXAS1 (0.32) | — | |
| SCHEMBL2053476 | 0.71 | — | — | |
| SCHEMBL6044385 | 0.69 | TBXAS1 (0.33) | — | |
| SCHEMBL22750410 | 0.67 | CYP11B2 (0.38) | — | |
| SCHEMBL8525654 | 0.65 | — | — | |
| SCHEMBL7096286 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL22601410 | 0.65 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103619332-A | Acadesine derivatives, products and compositions including same, therapeutic uses thereof, and methods for synthesizing same | UNIV NICE SOPHIA ANTIPOLIS | 2014-03-05 | — | — | CN | disclosed |
| US-20100179213-A1 | Methods and Compositions Involving miRNAs In Cancer Stem Cells | MIRNA THERAPEUTICS, INC. (US) | 2010-07-15 | — | — | US | disclosed |
| US-7737284-B2 | Synthesis of temozolomide and analogs | SCHERING PLOUGH CORP. (US) | 2010-06-15 | — | — | US | disclosed |
| WO-2010056737-A2 | METHODS AND COMPOSITIONS INVOLVING MIRNAS IN CANCER STEM CELLS | MIRNA THERAPEUTICS, INC. (US) | 2010-05-20 | — | — | WO | disclosed |
| US-20090023919-A1 | SYNTHESIS OF TEMOZOLOMIDE AND ANALOGS | SCHERING CORPORATION | 2009-01-22 | — | — | US | disclosed |