⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1911353 | 0.89 | CTSK (0.36) | — | |
| SCHEMBL12849238 | 0.89 | CTSK (0.36) | — | |
| SCHEMBL10421013 | 0.79 | — | — | |
| SCHEMBL16944230 | 0.75 | ADRB1 (0.32) | — | |
| SCHEMBL10314753 | 0.73 | — | — | |
| SCHEMBL10314759 | 0.73 | — | — | |
| SCHEMBL10421010 | 0.73 | EPHX1 (0.32) | — | |
| SCHEMBL20932920 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL473650 | 0.71 | — | — | |
| SCHEMBL5655242 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7504264-B2 | Method for characterizing a highly parallelized liquid handling technique using microplates and test kit for carrying out the method | CYBIO AG (DE) | 2009-03-17 | — | — | US | disclosed |