⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13661583 | 1.00 | — | — | |
| SCHEMBL13661123 | 1.00 | — | — | |
| SCHEMBL2945937 | 0.80 | — | — | |
| SCHEMBL2945934 | 0.80 | — | — | |
| SCHEMBL2954917 | 0.80 | — | — | |
| SCHEMBL1742973 | 0.78 | KMT2A (0.35) | — | |
| SCHEMBL27308273 | 0.78 | — | — | |
| SCHEMBL1740524 | 0.78 | — | — | |
| SCHEMBL16549769 | 0.78 | — | — | |
| SCHEMBL19343054 | 0.77 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0838508-B1 | Aqueous ink composition for use in an ink-jet printer | SEIKO EPSON CORP (JP) | 2001-08-29 | — | — | EP | disclosed |
| US-5871572-A | COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID | SEIKO EPSON CORPORATION (JP) | 1999-02-16 | — | — | US | disclosed |
| EP-0838508-A2 | Aqueous ink composition for use in an ink-jet printer | SEIKO EPSON CORPORATION (JP) | 1998-04-29 | — | — | EP | disclosed |