⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10164782 | 0.85 | — | — | |
| SCHEMBL10152552 | 0.81 | — | — | |
| SCHEMBL12999911 | 0.79 | BRD4 (0.32) | — | |
| SCHEMBL12907924 | 0.79 | ESR1 (0.30) | — | |
| SCHEMBL9015723 | 0.77 | BRD4 (0.30) | — | |
| SCHEMBL12999984 | 0.77 | — | — | |
| SCHEMBL12999695 | 0.76 | KIF11 (0.30) | — | |
| SCHEMBL10152551 | 0.76 | — | — | |
| SCHEMBL9016648 | 0.75 | — | — | |
| SCHEMBL10163856 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100309402-A1 | FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-12-09 | — | — | US | disclosed |