⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28634644 | 0.98 | CA1 (0.43) | — | |
| SCHEMBL2285674 | 0.88 | FAAH (0.48) | — | |
| Phosphonic Acid SCHEMBL27861835 | 0.83 | ATM (0.36) | — | |
| Phosphoric Acid SCHEMBL5574478 | 0.81 | LPAR3 (0.55) | — | |
| SCHEMBL9494773 | 0.76 | CA1 (0.40) | — | |
| Hexyl Formate SCHEMBL28243613 | 0.76 | CA1 (0.41) | — | |
| SCHEMBL29001883 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL6299239 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL27590578 | 0.74 | — | — | |
| SCHEMBL28169 | 0.72 | — | — |
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-7425588-B2 | Polymer composition including functional material, method for production of the same, inkjet ink, and image formation method and image formation apparatus using the same | CANON KABUSHIKI KAISHA (JP) | 2008-09-16 | — | — | US | disclosed |
| US-20050222296-A1 | Composition of polymer having functional substance encapsulated, process for producing the same, ink-jet recording ink, method of forming image with the same, and image-forming apparatus | CANON KABUSHIKI KAISHA (JP) | 2005-10-06 | — | — | US | disclosed |