⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6455211 | 0.91 | — | — | |
| SCHEMBL7757592 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL7748978 | 0.72 | — | — | |
| SCHEMBL3645265 | 0.68 | — | — | |
| SCHEMBL7743985 | 0.68 | — | — | |
| SCHEMBL15922361 | 0.68 | — | — | |
| SCHEMBL8401749 | 0.63 | CYP2C9 (0.33) | — | |
| SCHEMBL18950210 | 0.59 | — | — | |
| SCHEMBL16629066 | 0.58 | — | — | |
| SCHEMBL10715181 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900200-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R.J. REYNOLDS TOBACCO COMPANY (US) | 1999-03-10 | — | — | EP | claimed |
| WO-1997040011-A1 | PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS | R. J. REYNOLDS TOBACCO COMPANY (US) | 1997-10-30 | — | — | WO | claimed |
| EP-1556352-A1 | COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS | Targacept, Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004031151-A1 | COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS | TARGACEPT, INC. (US) | 2004-04-15 | — | — | WO | disclosed |