⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17445985 | 0.77 | — | — | |
| SCHEMBL17445995 | 0.73 | — | — | |
| SCHEMBL25769000 | 0.72 | FBP1 (0.33) | — | |
| SCHEMBL26253259 | 0.72 | FBP1 (0.33) | — | |
| SCHEMBL13247432 | 0.70 | — | — | |
| SCHEMBL12212771 | 0.70 | FBP1 (0.44) | — | |
| SCHEMBL17945756 | 0.70 | AMY1A (0.33) | — | |
| SCHEMBL26253261 | 0.69 | — | — | |
| SCHEMBL25768995 | 0.69 | — | — | |
| SCHEMBL17230983 | 0.69 | FBP1 (0.40) | — |
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-20100179311-A1 | REACTIONS OF GROUP 16 ELEMENTS | THE QUEEN'S UNI IONIC LIQUID LAB RESEARCH CENTRE (GB) | 2010-07-15 | — | — | US | disclosed |