⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12224076 | 0.94 | — | — | |
| SCHEMBL12836562 | 0.90 | HPGD (0.32) | — | |
| SCHEMBL12223568 | 0.89 | TYR (0.31) | — | |
| SCHEMBL12222963 | 0.89 | TYR (0.31) | — | |
| SCHEMBL12224658 | 0.89 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL12223943 | 0.88 | PIM1 (0.36) | — | |
| SCHEMBL12836558 | 0.85 | ACHE (0.30) | — | |
| SCHEMBL10091443 | 0.85 | HTT (0.31) | — | |
| SCHEMBL10091424 | 0.85 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL12836540 | 0.84 | — | — |
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-20110240919-A1 | FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |