⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12855826 | 0.92 | — | — | |
| SCHEMBL12855816 | 0.91 | EPHX1 (0.32) | — | |
| SCHEMBL12855813 | 0.90 | — | — | |
| SCHEMBL12855814 | 0.86 | — | — | |
| SCHEMBL439901 | 0.82 | TSHR (0.36) | — | |
| SCHEMBL12855815 | 0.81 | — | — | |
| SCHEMBL26073685 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL12855808 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL12855833 | 0.79 | — | — | |
| SCHEMBL12264016 | 0.77 | EPHX1 (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7888401-B2 | Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound | FUJIFILM CORPORATION (JP) | 2011-02-15 | — | — | US | disclosed |
| US-7888401-B2 | Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound | FUJIFILM CORPORATION (JP) | 2011-02-15 | — | — | US | disclosed |
| US-20080033072-A1 | Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound | FUJIFILM CORPORATION (JP) | 2008-02-07 | — | — | US | disclosed |
| US-20080033072-A1 | Ink composition and inkjet ink, and image-forming method and recorded material using the same, and oxetane compound | FUJIFILM CORPORATION (JP) | 2008-02-07 | — | — | US | disclosed |