⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170910 | 1.00 | — | — | |
| SCHEMBL2838456 | 0.72 | — | — | |
| SCHEMBL6660314 | 0.72 | — | — | |
| SCHEMBL11301648 | 0.69 | — | — | |
| SCHEMBL8958848 | 0.67 | TRPA1 (0.44) | — | |
| SCHEMBL1012418 | 0.67 | — | — | |
| SCHEMBL345847 | 0.67 | — | — | |
| SCHEMBL251278 | 0.67 | — | — | |
| SCHEMBL8958843 | 0.67 | TRPA1 (0.44) | — | |
| SCHEMBL9351601 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10067748-A | — | — | None | — | — | JP | disclosed |
| JP-6025284-A | — | — | None | — | — | JP | disclosed |
| JP-H1067748-A | PRODUCTION OF QUINALDINE | F HOFFMANN LA ROCHE AG | 1998-03-10 | — | — | JP | disclosed |
| JP-H0625284-A | CYCLIC IMIDE DERIVATIVE | GLAXO INC | 1994-02-01 | — | — | JP | disclosed |