⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17430971 | 0.95 | CA12 (0.31) | — | |
| SCHEMBL16746176 | 0.94 | POLB (0.37) | — | |
| SCHEMBL16746201 | 0.94 | POLB (0.35) | — | |
| SCHEMBL16746183 | 0.93 | POLB (0.38) | — | |
| SCHEMBL17942926 | 0.88 | POLB (0.35) | — | |
| SCHEMBL16746156 | 0.86 | KMT2A (0.34) | — | |
| SCHEMBL16657511 | 0.86 | POLB (0.41) | — | |
| SCHEMBL16657512 | 0.86 | POLB (0.39) | — | |
| SCHEMBL16749073 | 0.86 | MIF (0.40) | — | |
| SCHEMBL16746175 | 0.85 | THRB (0.31) | — |
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-9399736-B2 | Optically anisotropic substance and liquid crystal display | JNC CORPORATION (JP) | 2016-07-26 | — | — | US | disclosed |
| US-20150146156-A1 | OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY | JNC CORPORATION (JP) | 2015-05-28 | — | — | US | disclosed |