⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12887139 | 0.91 | — | — | |
| SCHEMBL14707002 | 0.91 | — | — | |
| SCHEMBL15960789 | 0.89 | — | — | |
| SCHEMBL12979021 | 0.89 | — | — | |
| SCHEMBL13018478 | 0.88 | — | — | |
| SCHEMBL13018473 | 0.88 | — | — | |
| SCHEMBL13018479 | 0.88 | — | — | |
| SCHEMBL12445056 | 0.88 | — | — | |
| SCHEMBL12610544 | 0.85 | TYR (0.32) | — | |
| SCHEMBL14707003 | 0.84 | — | — |
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-20130043434-A1 | POLYMERS OF BENZODITHIOPHENE AND THEIR USE AS ORGANIC SEMICONDUCTORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-02-21 | — | — | US | disclosed |