⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL871607 | 0.76 | — | — | |
| SCHEMBL1761148 | 0.75 | CA14 (0.33) | — | |
| SCHEMBL2468579 | 0.75 | LMNA (0.32) | — | |
| SCHEMBL27809237 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL2086403 | 0.72 | CA12 (0.43) | — | |
| SCHEMBL17363802 | 0.72 | CA2 (0.48) | — | |
| SCHEMBL1416807 | 0.72 | GRIK1 (0.32) | — | |
| SCHEMBL1416667 | 0.72 | GRIK1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL22444387 | 0.71 | CA2 (0.47) | — | |
| SCHEMBL22444395 | 0.71 | CA2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101790529-B | 8-azabicyclo [3.2.1] octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists | THERAVANCE INC | 2012-09-05 | — | — | CN | disclosed |
| CN-101790529-A | 8-azabicyclo [3.2.1] octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists | THERAVANCE INC | 2010-07-28 | — | — | CN | disclosed |