⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20671512 | 1.00 | — | — | |
| SCHEMBL16508653 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL14665134 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL5831065 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL6614040 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL23669725 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL5831069 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL10811159 | 0.82 | PPM1D (0.31) | — | |
| SCHEMBL23688454 | 0.78 | — | — | |
| SCHEMBL16772247 | 0.76 | PPM1D (0.30) | — |
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-2016100833-A2 | TOTAL SYNTHESIS OF TRIOXACARCIN DC-45-A2 AND PREPARATION OF TRIOXACARCIN ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2016-06-23 | — | — | WO | disclosed |