⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3758772 | 0.75 | ESR1 (0.37) | — | |
| SCHEMBL3762710 | 0.75 | ESR1 (0.37) | — | |
| SCHEMBL5887947 | 0.72 | OAT (0.44) | — | |
| SCHEMBL15817528 | 0.70 | DRD2 (0.38) | — | |
| SCHEMBL28121861 | 0.69 | CES2 (0.31) | — | |
| SCHEMBL10293946 | 0.67 | CHRNB2 (0.36) | — | |
| SCHEMBL27479047 | 0.66 | — | — | |
| SCHEMBL11649983 | 0.66 | GAA (0.33) | — | |
| SCHEMBL13066100 | 0.64 | CES2 (0.33) | — | |
| SCHEMBL5888258 | 0.63 | — | — |
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-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 |