⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10106457 | 0.92 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL10102113 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL10101958 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL13068734 | 0.84 | CDK2 (0.32) | — | |
| SCHEMBL10101889 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL10101978 | 0.77 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL10101888 | 0.77 | IKBKB (0.41) | — | |
| SCHEMBL10101897 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL10101903 | 0.76 | — | — | |
| SCHEMBL10101913 | 0.76 | ALDH1A1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8206465-B2 | Azo pigments, pigment dispersion, coloring composition, and ink for inkjet recording | FUJIFILM CORPORATION (JP) | 2012-06-26 | — | — | US | disclosed |
| US-20110011306-A1 | AZO PIGMENTS, PIGMENT DISPERSION, COLORING COMPOSITION, AND INK FOR INKJET RECORDING | FUJIFILM CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |