⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2309309 | 0.82 | — | — | |
| SCHEMBL6567520 | 0.80 | — | — | |
| SCHEMBL4279894 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL27503124 | 0.75 | — | — | |
| SCHEMBL2783936 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL104645 | 0.75 | — | — | |
| SCHEMBL276971 | 0.75 | — | — | |
| SCHEMBL4270230 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL28553000 | 0.75 | — | — | |
| SCHEMBL269385 | 0.73 | — | — |
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-2011131256-A1 | METERING SYSTEM FOR A WATER-CONDUCTING HOUSEHOLD APPLIANCE | HENKEL AG & CO. KGAA (DE) | 2011-10-27 | — | — | WO | disclosed |