⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1697295 | 0.78 | CHRNB2 (0.42) | — | |
| SCHEMBL1697307 | 0.78 | CHRNB2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL1697308 | 0.77 | CHRNB2 (0.41) | — | |
| SCHEMBL14919056 | 0.76 | — | — | |
| SCHEMBL14933285 | 0.70 | CHRNB2 (0.38) | — | |
| SCHEMBL16116933 | 0.67 | CHRNB2 (0.34) | — | |
| SCHEMBL1697301 | 0.65 | EPHX2 (0.34) | — | |
| SCHEMBL14730867 | 0.64 | CHRNB2 (0.59) | — | |
| SCHEMBL8913617 | 0.61 | — | — | |
| SCHEMBL7446410 | 0.60 | CHRNB2 (0.38) | — |
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-20140288185-A1 | NICOTINIC RECEPTOR NON-COMPETITIVE MODULATORS | TARGACEPT, INC. | 2014-09-25 | — | — | US | disclosed |
| US-20140288185-A1 | NICOTINIC RECEPTOR NON-COMPETITIVE MODULATORS | TARGACEPT, INC. | 2014-09-25 | — | — | US | disclosed |
| WO-2013067105-A2 | NICOTINIC RECEPTOR NON-COMPETITIVE MODULATORS | TARGACEPT, INC. (US) | 2013-05-10 | — | — | WO | disclosed |