⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27718041 | 0.76 | POLB (0.32) | — | |
| SCHEMBL27821090 | 0.74 | — | — | |
| SCHEMBL6475564 | 0.70 | — | — | |
| SCHEMBL27506409 | 0.69 | — | — | |
| SCHEMBL29114582 | 0.68 | — | — | |
| SCHEMBL9700706 | 0.68 | — | — | |
| SCHEMBL9128877 | 0.67 | CASP6 (0.33) | — | |
| SCHEMBL28411068 | 0.66 | — | — | |
| SCHEMBL27706379 | 0.63 | HTT (0.32) | — | |
| SCHEMBL27687122 | 0.63 | POLB (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012145522-A2 | DEEP EUTECTIC SOLVENT SYSTEMS AND METHODS | GEORGIA TECH RESEARCH CORPORATION (US) | 2012-10-26 | — | — | WO | disclosed |