⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2170091 | 0.73 | — | — | |
| SCHEMBL6232849 | 0.70 | — | — | |
| SCHEMBL20302069 | 0.70 | — | — | |
| SCHEMBL5496036 | 0.68 | — | — | |
| SCHEMBL3106631 | 0.68 | — | — | |
| SCHEMBL3418698 | 0.67 | — | — | |
| SCHEMBL14809533 | 0.67 | — | — | |
| SCHEMBL571083 | 0.66 | — | — | |
| SCHEMBL2363048 | 0.66 | — | — | |
| SCHEMBL5946429 | 0.65 | — | — |
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-2008141183-A2 | METHOD AND SYSTEM FOR CRYSTALLIZATION AND X-RAY DIFFRACTION SCREENING | FLUIDIGM CORPORATION (US) | 2008-11-20 | — | — | WO | disclosed |