⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10534107 | 1.00 | — | — | |
| SCHEMBL3794131 | 0.73 | — | — | |
| SCHEMBL29549012 | 0.71 | — | — | |
| SCHEMBL9762967 | 0.71 | — | — | |
| SCHEMBL845600 | 0.71 | — | — | |
| SCHEMBL845602 | 0.71 | — | — | |
| SCHEMBL1966761 | 0.70 | — | — | |
| SCHEMBL4895937 | 0.70 | FFAR3 (0.33) | — | |
| SCHEMBL6256974 | 0.70 | FFAR3 (0.33) | — | |
| SCHEMBL3379381 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5366900-A | Exposing to ultraviolet radiation to make nitric oxide; detection | CORNELL RESEARCH FOUNDATION, INC. (US) | 1994-11-22 | — | — | US | disclosed |
| US-5094815-A | Chromatography, formation and detection of nitric oxide | CORNELL RESEARCH FOUNDATION, INC. (US) | 1992-03-10 | — | — | US | disclosed |
| US-5016655-A | Cigarette manufacturing process | C.A. BLOCKERS, INC. (US) | 1991-05-21 | — | — | US | disclosed |
| US-4966169-A | SPRAYING TOBACCO WITH ALCOHOL | C. A. BLOCKERS, INC. (US) | 1990-10-30 | — | — | US | disclosed |
| WO-1989006911-A1 | PROCESS FOR MANUFACTURING CIGARETTES EMPLOYING PRESELECTED ALCOHOLS | C.A. BLOCKERS, INC. (US) | 1989-08-10 | — | — | WO | disclosed |
| WO-1989006912-A1 | PROCESS FOR MANUFACTURING CIGARETTES EMPLOYING PRESELECTED ALCOHOLS | BLOCKERS C A INC (US) | 1989-08-10 | — | — | WO | disclosed |