⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14980952 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL15261901 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL16519533 | 0.70 | — | — | |
| SCHEMBL15262527 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL15262563 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL11270878 | 0.67 | — | — | |
| SCHEMBL11268358 | 0.67 | — | — | |
| SCHEMBL16114565 | 0.66 | — | — | |
| SCHEMBL17627826 | 0.65 | — | — | |
| SCHEMBL12863964 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2494975-A1 | Compounds and methods for promoting smoking cessation | Research Triangle Institute (US) | 2012-09-05 | — | — | EP | disclosed |
| EP-2404923-A1 | 7-azabicyclo[2.2.1]heptane derivatives useful for promoting smoking cessation | RESEARCH TRIANGLE INSTITUTE (US) | 2012-01-11 | — | — | EP | disclosed |