⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11416188 | 0.78 | MAOA (0.32) | — | |
| SCHEMBL5206443 | 0.78 | — | — | |
| SCHEMBL4758803 | 0.76 | NPC1 (0.40) | — | |
| Naphthalene SCHEMBL11589769 | 0.72 | CYP2A6 (0.36) | — | |
| SCHEMBL10891792 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL6567730 | 0.70 | MEN1 (0.43) | — | |
| Azobenzene SCHEMBL11590710 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL2554754 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL3064895 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL9066032 | 0.69 | MAOA (0.53) | — |
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-4579938-A | Water soluble thiophen-2-ylazopyrazole compounds as colorants for polyamides and wool | EASTMAN KODAK COMPANY (US) | 1986-04-01 | — | — | US | disclosed |
| US-4579938-A | Water soluble thiophen-2-ylazopyrazole compounds as colorants for polyamides and wool | EASTMAN KODAK COMPANY (US) | 1986-04-01 | — | — | US | disclosed |
| US-4579938-A | Water soluble thiophen-2-ylazopyrazole compounds as colorants for polyamides and wool | EASTMAN KODAK COMPANY (US) | 1986-04-01 | — | — | US | disclosed |
| US-4568738-A | Thiophen-2-ylazopyrazole compounds as colorants for textile fibers | EASTMAN KODAK COMPANY (US) | 1986-02-04 | — | — | US | disclosed |
| US-4568738-A | Thiophen-2-ylazopyrazole compounds as colorants for textile fibers | EASTMAN KODAK COMPANY (US) | 1986-02-04 | — | — | US | disclosed |
| US-4568738-A | Thiophen-2-ylazopyrazole compounds as colorants for textile fibers | EASTMAN KODAK COMPANY (US) | 1986-02-04 | — | — | US | disclosed |