⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193665 | 0.86 | AKR1B1 (0.34) | — | |
| SCHEMBL6122515 | 0.86 | AKR1B1 (0.34) | — | |
| SCHEMBL3029047 | 0.86 | AKR1B1 (0.34) | — | |
| SCHEMBL11464015 | 0.83 | GPR84 (0.40) | — | |
| SCHEMBL2109983 | 0.83 | GPR84 (0.40) | — | |
| SCHEMBL2108730 | 0.83 | GPR84 (0.40) | — | |
| SCHEMBL2109685 | 0.83 | GPR84 (0.40) | — | |
| SCHEMBL2108728 | 0.83 | GPR84 (0.40) | — | |
| Palmoxirate SCHEMBL1579204 | 0.83 | GPR84 (0.40) | — | |
| SCHEMBL2109987 | 0.83 | GPR84 (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 |
|---|---|---|---|---|---|---|---|
| US-6605323-B1 | Monostable ferroelectric active matrix display | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2003-08-12 | — | — | US | disclosed |
| US-6551668-B1 | Monodomain liquid crystal layer with an unambiguously defined direction of the layer normal z of the smectite phase wherein the layer normal z and the preferential direction n of the nematic or cholesteric phase (N* phase) form an angle of >/= 5 | AVENTIS RESEARCH & TECHNOLOGIES (DE) | 2003-04-22 | — | — | US | disclosed |