⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12889566 | 1.00 | — | — | |
| SCHEMBL12889531 | 0.91 | — | — | |
| SCHEMBL14328302 | 0.91 | RAPGEF4 (0.34) | — | |
| SCHEMBL15603972 | 0.90 | CYP11B1 (0.32) | — | |
| SCHEMBL28667965 | 0.90 | RAPGEF4 (0.35) | — | |
| SCHEMBL12889554 | 0.89 | ANPEP (0.33) | — | |
| SCHEMBL15744599 | 0.88 | — | — | |
| SCHEMBL15744363 | 0.88 | — | — | |
| SCHEMBL12889590 | 0.88 | — | — | |
| SCHEMBL15603974 | 0.88 | GPR3 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170166816-A1 | PHOTOREACTIVE LIQUID CRYSTAL COMPOSITION, DISPLAY ELEMENT, OPTICAL ELEMENT, METHOD FOR MANUFACTURING DISPLAY ELEMENT, AND METHOD FOR MANUFACTURING OPTICAL ELEMENT | UNIVERSITY OF HYOGO (JP) | 2017-06-15 | — | — | US | disclosed |
| US-7888519-B2 | Liquid crystals; using metastasis catalysts; reduction, hydrogenation | MERCK PATENT GESELLSCHAFT (DE) | 2011-02-15 | — | — | US | disclosed |
| US-7314943-B2 | Pyran derivatives containing an exocyclic double bond | MERCK PATENT GMBH (DE) | 2008-01-01 | — | — | US | disclosed |