⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19323 | 0.69 | — | — | |
| SCHEMBL8087935 | 0.69 | — | — | |
| SCHEMBL156110 | 0.67 | — | — | |
| SCHEMBL27770257 | 0.67 | — | — | |
| SCHEMBL9335108 | 0.67 | — | — | |
| SCHEMBL21526267 | 0.67 | — | — | |
| SCHEMBL28420389 | 0.67 | — | — | |
| SCHEMBL20006 | 0.67 | — | — | |
| SCHEMBL126712 | 0.65 | — | — | |
| SCHEMBL156111 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6003987-A | Ink set recording apparatus and method using ink set having a dye that becomes insoluble when mixed with another dye | CANON KABUSHIKI KAISHA (JP) | 1999-12-21 | — | — | US | disclosed |