⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14235219 | 0.84 | — | — | |
| SCHEMBL16003117 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL15726434 | 0.76 | PDE4B (0.35) | — | |
| SCHEMBL14234967 | 0.76 | GAA (0.33) | — | |
| SCHEMBL17282907 | 0.76 | GAA (0.33) | — | |
| SCHEMBL14234456 | 0.76 | GAA (0.33) | — | |
| SCHEMBL23736111 | 0.72 | SLC6A2 (0.32) | — | |
| SCHEMBL14235320 | 0.71 | RXRA (0.33) | — | |
| SCHEMBL15253760 | 0.71 | RXRA (0.33) | — | |
| SCHEMBL15727268 | 0.68 | TERF2 (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-2012166665-A2 | BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. (US) | 2012-12-06 | — | — | WO | disclosed |