⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14465424 | 0.91 | CHRNB2 (0.30) | — | |
| SCHEMBL12895584 | 0.87 | CHRNB2 (0.31) | — | |
| SCHEMBL16248253 | 0.82 | CHRNB2 (0.30) | — | |
| SCHEMBL14465474 | 0.80 | — | — | |
| SCHEMBL20090833 | 0.80 | — | — | |
| SCHEMBL12242667 | 0.78 | CHRNB2 (0.31) | — | |
| SCHEMBL13784340 | 0.76 | CYP19A1 (0.32) | — | |
| SCHEMBL14640255 | 0.75 | THRA (0.31) | — | |
| SCHEMBL14465467 | 0.74 | CYP19A1 (0.31) | — | |
| SCHEMBL20276076 | 0.73 | CYP19A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7662443-B2 | Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 2010-02-16 | — | — | US | disclosed |
| US-20080121843-A1 | Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices | HECKMEIER MICHAEL | 2008-05-29 | — | — | US | disclosed |