⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3212953 | 0.79 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL3258521 | 0.79 | — | — | |
| SCHEMBL3209991 | 0.75 | — | — | |
| SCHEMBL28006187 | 0.75 | — | — | |
| SCHEMBL30626777 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3263141 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3261851 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3217534 | 0.74 | — | — | |
| SCHEMBL3198839 | 0.73 | — | — | |
| SCHEMBL3201648 | 0.72 | CRHBP (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090149496-A1 | INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-06-11 | — | — | US | disclosed |