⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4353832 | 0.77 | PNMT (0.34) | — | |
| SCHEMBL4530032 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL4520359 | 0.67 | L3MBTL3 (0.43) | — | |
| SCHEMBL25664367 | 0.65 | PBRM1 (0.41) | — | |
| SCHEMBL29056083 | 0.65 | ESR1 (0.36) | — | |
| SCHEMBL6677446 | 0.62 | ESR2 (0.41) | — | |
| SCHEMBL3054783 | 0.62 | ESR2 (0.41) | — | |
| SCHEMBL11145892 | 0.62 | CYP2A6 (0.34) | — | |
| SCHEMBL11145894 | 0.62 | CYP2A6 (0.34) | — | |
| SCHEMBL10432906 | 0.61 | — | — |
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-7910018-B2 | Compounds for use in liquid crystal devices | QINETIQ LIMITED (GB) | 2011-03-22 | — | — | US | disclosed |
| US-20090066905-A1 | Componds for use in liquid crystal devices | QINETIQ LIMITED (GB) | 2009-03-12 | — | — | US | disclosed |