⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13913386 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL1171010 | 0.75 | MAPK1 (0.31) | — | |
| SCHEMBL20446047 | 0.75 | MAPK1 (0.31) | — | |
| SCHEMBL8849180 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL1171084 | 0.72 | ENPEP (0.31) | — | |
| SCHEMBL6650858 | 0.72 | — | — | |
| SCHEMBL20394130 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL13346809 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL19681320 | 0.69 | MMP1 (0.38) | — | |
| SCHEMBL17639952 | 0.69 | USP2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9718976-B2 | Ink composition for inkjet recording, inkjet recording method, and printed matter | FUJIFILM CORPORATION (JP) | 2017-08-01 | — | — | US | disclosed |
| US-9441127-B2 | Polymerizable composition, ink composition for ink-jet recording, method of ink-jet recording, and printed article | FUJIFILM CORPORATION (JP) | 2016-09-13 | — | — | US | disclosed |
| US-20160090495-A1 | INK COMPOSITION FOR INKJET RECORDING, INKJET RECORDING METHOD, AND PRINTED MATTER | FUJIFILM CORPORATION (JP) | 2016-03-31 | — | — | US | disclosed |
| US-20160090494-A1 | POLYMERIZABLE COMPOSITION, INK COMPOSITION FOR INK-JET RECORDING, METHOD OF INK-JET RECORDING, AND PRINTED ARTICLE | FUJIFILM CORPORATION (JP) | 2016-03-31 | — | — | US | disclosed |