⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9830845 | 0.74 | — | — | |
| SCHEMBL127337 | 0.70 | — | — | |
| SCHEMBL13788685 | 0.70 | — | — | |
| SCHEMBL23639231 | 0.69 | — | — | |
| SCHEMBL13679159 | 0.69 | — | — | |
| SCHEMBL13852592 | 0.69 | — | — | |
| Bromide SCHEMBL5619788 | 0.67 | ADRA2A (0.38) | — | |
| SCHEMBL6231051 | 0.65 | — | — | |
| SCHEMBL12337440 | 0.65 | — | — | |
| SCHEMBL17244832 | 0.65 | CNR2 (0.32) | — |
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-2012116782-A1 | PROTON CONDUCTING ELECTROLYTES WITH CROSS-LINKED COPOLYMER ADDITIVES FOR USE IN FUEL CELLS | DAIMLER AG (DE) | 2012-09-07 | — | — | WO | disclosed |