⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12509877 | 0.91 | — | — | |
| SCHEMBL12424742 | 0.86 | GRIN2D (0.31) | — | |
| SCHEMBL12424853 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL12424915 | 0.74 | CA1 (0.31) | — | |
| SCHEMBL12424935 | 0.74 | HSD17B10 (0.34) | — | |
| SCHEMBL12424929 | 0.74 | — | — | |
| SCHEMBL12424977 | 0.71 | — | — | |
| SCHEMBL12424856 | 0.71 | GSK3B (0.39) | — | |
| SCHEMBL12509938 | 0.71 | — | — | |
| SCHEMBL12425040 | 0.69 | PTGS2 (0.41) | — |
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-7977670-B2 | Organic transistor | TOYO INK MFG. CO., LTD. (JP) | 2011-07-12 | — | — | US | disclosed |
| US-20100032657-A1 | ORGANIC TRANSISTOR | TOYO INK MFG CO., LTD (JP) | 2010-02-11 | — | — | US | disclosed |