⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6292229 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL28820704 | 0.73 | — | — | |
| SCHEMBL4700523 | 0.73 | — | — | |
| SCHEMBL974768 | 0.73 | — | — | |
| SCHEMBL10757207 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL1244139 | 0.69 | — | — | |
| SCHEMBL9925413 | 0.69 | — | — | |
| SCHEMBL4970408 | 0.68 | DAO (0.45) | — | |
| SCHEMBL2784365 | 0.68 | CYP2A6 (0.41) | — | |
| SCHEMBL4911880 | 0.68 | HDAC8 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214316-B1 | FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES | CLARIANT INT LTD (CH) | 2003-05-07 | — | — | EP | disclosed |
| EP-1214316-A1 | FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES | CLARIANT INTERNATIONAL LTD. (CH) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016131-A2 | FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES | CLARIANT INTERNATIONAL LTD (CH) | 2001-03-08 | — | — | WO | disclosed |