⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13060419 | 0.81 | — | — | |
| SCHEMBL149187 | 0.79 | — | — | |
| SCHEMBL16674069 | 0.79 | ACHE (0.60) | — | |
| SCHEMBL9475407 | 0.79 | CHRNB2 (0.48) | — | |
| SCHEMBL9239406 | 0.77 | — | — | |
| SCHEMBL7190431 | 0.77 | — | — | |
| SCHEMBL7679086 | 0.77 | — | — | |
| SCHEMBL19810523 | 0.77 | — | — | |
| SCHEMBL8678778 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL9998727 | 0.77 | — | — |
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-8158728-B2 | Methods and materials for fabricating microfluidic devices | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-04-17 | — | — | US | disclosed |