⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235010 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL16480205 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL7038877 | 0.76 | — | — | |
| SCHEMBL6064199 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL2143419 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL16477670 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL28226453 | 0.72 | — | — | |
| SCHEMBL5152967 | 0.71 | — | — | |
| SCHEMBL8770434 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL8585691 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1423691-A1 | FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS | 3M Innovative Properties Company (US) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003019179-A1 | FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2003-03-06 | — | — | WO | disclosed |