⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745572 | 0.77 | — | — | |
| SCHEMBL533161 | 0.74 | RAB9A (0.41) | — | |
| SCHEMBL9079160 | 0.72 | — | — | |
| SCHEMBL534494 | 0.71 | RAB9A (0.46) | — | |
| SCHEMBL3664828 | 0.71 | KMT2A (0.42) | — | |
| SCHEMBL533052 | 0.71 | NOTUM (0.38) | — | |
| SCHEMBL2750091 | 0.71 | AHR (0.46) | — | |
| SCHEMBL988804 | 0.69 | — | — | |
| SCHEMBL2751748 | 0.69 | ADORA2A (0.34) | — | |
| SCHEMBL2752707 | 0.69 | SMN1; SMN2 (0.35) | — |
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-0602596-B1 | Trifluorophenylene compounds, process for their preparation and their use in liquid crystalline mixtures | HOECHST AG (DE) | 1997-11-05 | — | — | EP | claimed |
| EP-0602596-A1 | Trifluorophenylene compounds, process for their preparation and their use in liquid crystalline mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-22 | — | — | EP | claimed |