⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005028 | 0.79 | ANPEP (0.32) | — | |
| SCHEMBL23889752 | 0.76 | — | — | |
| SCHEMBL22266644 | 0.76 | — | — | |
| SCHEMBL16843594 | 0.76 | — | — | |
| SCHEMBL10588655 | 0.76 | — | — | |
| SCHEMBL16844342 | 0.75 | — | — | |
| SCHEMBL24762741 | 0.75 | — | — | |
| SCHEMBL28150282 | 0.73 | SLC6A4 (0.31) | — | |
| SCHEMBL15507877 | 0.70 | — | — | |
| SCHEMBL26081517 | 0.70 | SLC6A4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2766520-B1 | MATERIALS CONTAINING IMMOBILISED POLYELECTROLYTES | DTNW DEUTSCHES TEXTILFORSCHUNGSZENTRUM NORD WEST GEMEINNUETZIGE GMBH (DE) | 2018-03-28 | — | — | EP | disclosed |