⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL66494 | 0.84 | — | — | |
| SCHEMBL6157593 | 0.77 | — | — | |
| Ethylene SCHEMBL4454205 | 0.71 | — | — | |
| Cyanate SCHEMBL27880535 | 0.67 | — | — | |
| Cyanate SCHEMBL19371516 | 0.67 | — | — | |
| SCHEMBL2229 | 0.67 | — | — | |
| SCHEMBL6338710 | 0.67 | — | — | |
| SCHEMBL166549 | 0.62 | — | — | |
| Ethane SCHEMBL7876998 | 0.57 | — | — | |
| SCHEMBL4597 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849383-A | Aqueous pigment dispersion, aqueous green ink for inkjet recording, or aqueous red ink for inkjet recording | DIC株式会社 | 2018-03-27 | — | — | CN | disclosed |