⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18901797 | 0.72 | HCAR2 (0.33) | — | |
| SCHEMBL13363076 | 0.65 | — | — | |
| Bicarbonate SCHEMBL5672748 | 0.65 | CA1 (0.33) | — | |
| SCHEMBL21076548 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL3374348 | 0.61 | — | — | |
| SCHEMBL2025314 | 0.59 | — | — | |
| SCHEMBL7388366 | 0.58 | — | — | |
| SCHEMBL3818018 | 0.58 | — | — | |
| SCHEMBL5064990 | 0.58 | TSHR (0.33) | — | |
| SCHEMBL6219705 | 0.58 | — | — |
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-1743900-B1 | Organic compounds, organometallic complexes, organic electroluminescent display devices using the complexes and method for preparation of the devices | SAMSUNG SDI CO LTD (KR) | 2008-08-13 | — | — | EP | disclosed |