⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11246635 | 0.75 | FFAR3 (0.31) | — | |
| SCHEMBL11248378 | 0.75 | FFAR3 (0.31) | — | |
| SCHEMBL6631845 | 0.75 | FFAR3 (0.31) | — | |
| SCHEMBL10875348 | 0.73 | FFAR3 (0.30) | — | |
| SCHEMBL5590449 | 0.73 | KCNA4 (0.33) | — | |
| SCHEMBL9804280 | 0.72 | — | — | |
| SCHEMBL21373895 | 0.72 | — | — | |
| SCHEMBL9619293 | 0.69 | — | — | |
| SCHEMBL6581060 | 0.67 | FFAR3 (0.35) | — | |
| SCHEMBL3670104 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993020068-A1 | CHIRAL OXIRANE DERIVATIVES AND THEIR USE AS DOPING AGENTS IN LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-14 | — | — | WO | disclosed |