⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL104405 | 0.89 | — | — | |
| Dioxane SCHEMBL5992701 | 0.82 | ESR1 (0.34) | — | |
| SCHEMBL18322679 | 0.81 | ESR2 (0.37) | — | |
| SCHEMBL18027850 | 0.80 | — | — | |
| SCHEMBL17617094 | 0.80 | — | — | |
| SCHEMBL1192557 | 0.80 | — | — | |
| Oxirane SCHEMBL96722 | 0.75 | ESR1 (0.39) | — | |
| SCHEMBL12993553 | 0.75 | — | — | |
| SCHEMBL6630034 | 0.75 | — | — | |
| SCHEMBL6627647 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110372703-A | Five-ring heterocycles miazines compound and application thereof | 罗欣生物科技（上海）有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-107207851-A | Method for producing photochromic cured product | 株式会社德山 | 2017-09-26 | — | — | CN | disclosed |
| US-20070185086-A1 | Pharmaceutical Compositions and Methods for Effecting Dopamine Release | BENCHERIF MEROUANE | 2007-08-09 | — | — | US | disclosed |
| US-7214686-B2 | Pharmaceutical compositions and methods for effecting dopamine release | TARGACEPT, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| WO-2004108668-A2 | ALPHA-7 NEURONAL NICOTINIC RECEPTOR LIGANDS: COMPOSITIONS AND METHODS OF USE | TARGACEPT, INC. (US) | 2004-12-16 | — | — | WO | disclosed |
| US-20040220214-A1 | Pharmaceutical compositions and methods for effecting dopamine release | TARGACEPT, INC. | 2004-11-04 | — | — | US | disclosed |