⚠ 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 | |
|---|---|---|---|---|
| 4-Formylpyridine SCHEMBL28473 | 1.00 | — | — | |
| 4-Formylpyridine SCHEMBL28425267 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL4614337 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL1530881 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL6362259 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL29954274 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL6715614 | 0.97 | — | — | |
| 4-Formylpyridine SCHEMBL27750218 | 0.97 | ALDH1A1 (0.48) | — | |
| 4-Formylpyridine SCHEMBL28111835 | 0.94 | ALDH1A1 (0.46) | — | |
| 4-Formylpyridine SCHEMBL27523098 | 0.94 | ALDH1A1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140073619-A1 | METHOD FOR TREATING CHRONIC PAIN | SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) | 2014-03-13 | — | — | US | disclosed |
| US-20120135973-A1 | METHOD FOR TREATING CHRONIC PAIN | SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) | 2012-05-31 | — | — | US | disclosed |
| WO-2012033916-A1 | METHOD FOR TREATING CHRONIC PAIN | SOUTHERN ILLINOIS UNIVERSITY EDWARDSVILLE (US) | 2012-03-15 | — | — | WO | disclosed |