⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13151014 | 0.85 | HDAC4 (0.32) | — | |
| SCHEMBL8737673 | 0.80 | POLB (0.41) | — | |
| SCHEMBL3447023 | 0.79 | — | — | |
| SCHEMBL1589356 | 0.78 | HTT (0.35) | — | |
| SCHEMBL26455125 | 0.78 | CES2 (0.31) | — | |
| SCHEMBL14803921 | 0.77 | — | — | |
| SCHEMBL21228298 | 0.77 | HDAC4 (0.31) | — | |
| SCHEMBL10464042 | 0.77 | POLB (0.35) | — | |
| SCHEMBL9007025 | 0.76 | THRB (0.32) | — | |
| SCHEMBL3446659 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101466729-A | Lysobactin amides | AICURIS GMBH & CO KG (DE) | 2009-06-24 | — | — | CN | disclosed |
| EP-1492523-A2 | METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003043631-A2 | METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-05-30 | — | — | WO | disclosed |