⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13752500 | 1.00 | — | — | |
| SCHEMBL10255581 | 1.00 | — | — | |
| SCHEMBL27807370 | 0.96 | — | — | |
| SCHEMBL17428466 | 0.72 | — | — | |
| SCHEMBL5918242 | 0.72 | — | — | |
| SCHEMBL2556238 | 0.72 | — | — | |
| SCHEMBL7650457 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28246352 | 0.69 | — | — | |
| SCHEMBL5399484 | 0.69 | — | — | |
| SCHEMBL222728 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101600344-A | Pesticidal aggregates | INNOVAFORM TECHNOLOGIES LLC (US) | 2009-12-09 | — | — | CN | disclosed |
| US-20080319166-A1 | Treatment of implantable medical devices resistant to calcification | LABORTORIES PEROUSE (FR) | 2008-12-25 | — | — | US | disclosed |