⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21816878 | 0.73 | — | — | |
| SCHEMBL15910177 | 0.72 | — | — | |
| SCHEMBL6515062 | 0.72 | — | — | |
| SCHEMBL247395 | 0.72 | — | — | |
| SCHEMBL16216271 | 0.72 | — | — | |
| SCHEMBL10699672 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL10080366 | 0.69 | — | — | |
| SCHEMBL13937748 | 0.69 | — | — | |
| SCHEMBL11997950 | 0.69 | — | — | |
| SCHEMBL14114057 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173270-B2 | Conducting polymer composition and organic optoelectronic device employing the same | SAMSUNG MOBILE DISPLAY CO., LTD. (KR) | 2012-05-08 | — | — | US | disclosed |