⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5780 | 0.95 | — | — | |
| SCHEMBL28813566 | 0.90 | — | — | |
| SCHEMBL28108290 | 0.79 | — | — | |
| SCHEMBL1177967 | 0.68 | — | — | |
| SCHEMBL7052193 | 0.65 | — | — | |
| Acetaldehyde SCHEMBL29598311 | 0.65 | — | — | |
| SCHEMBL25911 | 0.64 | — | — | |
| SCHEMBL10231 | 0.63 | — | — | |
| Butane SCHEMBL2304316 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL20577358 | 0.61 | — | — |
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-105452398-B | Composition for ink, ink jet recording method and tingle body using this composition for ink | 日本化药株式会社 | 2018-07-10 | — | — | CN | disclosed |