⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25534 | 0.82 | — | — | |
| Biphenyl SCHEMBL3137892 | 0.78 | ALDH1A1 (0.60) | — | |
| Hydrazine SCHEMBL20424895 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11697263 | 0.76 | — | — | |
| Charcoal, Activated SCHEMBL990063 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL9694359 | 0.76 | — | — | |
| SCHEMBL19409152 | 0.76 | — | — | |
| Formaldehyde SCHEMBL1322931 | 0.71 | — | — | |
| Nitrous Acid SCHEMBL17395924 | 0.67 | — | — | |
| Benzene SCHEMBL10457003 | 0.67 | CA1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008063625-A2 | PYRIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2008-05-29 | — | — | WO | disclosed |