⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12240215 | 1.00 | — | — | |
| SCHEMBL9933290 | 0.93 | — | — | |
| SCHEMBL8224447 | 0.93 | — | — | |
| SCHEMBL18267816 | 0.92 | — | — | |
| SCHEMBL18373693 | 0.86 | — | — | |
| SCHEMBL15827301 | 0.85 | — | — | |
| SCHEMBL19531791 | 0.84 | — | — | |
| SCHEMBL18435069 | 0.84 | — | — | |
| SCHEMBL19531798 | 0.84 | — | — | |
| SCHEMBL16785722 | 0.83 | — | — |
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-8758649-B2 | Organic semiconductor formulation | MERCK PATENT GMBH (DE) | 2014-06-24 | — | — | US | disclosed |