⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL544590 | 0.71 | TSHR (0.45) | — | |
| SCHEMBL5144249 | 0.69 | — | — | |
| SCHEMBL8961983 | 0.68 | TSHR (0.40) | — | |
| SCHEMBL153584 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL8961961 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL498489 | 0.67 | — | — | |
| SCHEMBL5227293 | 0.65 | — | — | |
| SCHEMBL8962107 | 0.65 | TSHR (0.44) | — | |
| SCHEMBL1507509 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL27813096 | 0.65 | TSHR (0.40) | — |
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-2285587-A2 | IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS | SICPA HOLDING SA (CH) | 2011-02-23 | — | — | EP | disclosed |
| WO-2009121605-A2 | IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS | SICPA HOLDING S.A. (CH) | 2009-10-08 | — | — | WO | disclosed |