⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL522005 | 0.78 | — | — | |
| SCHEMBL522003 | 0.78 | — | — | |
| SCHEMBL2343319 | 0.78 | — | — | |
| SCHEMBL2343321 | 0.78 | — | — | |
| SCHEMBL1801877 | 0.78 | HCAR2 (0.60) | — | |
| SCHEMBL12018827 | 0.78 | HCAR2 (0.60) | — | |
| SCHEMBL3089611 | 0.78 | HCAR2 (0.60) | — | |
| SCHEMBL3221132 | 0.77 | — | — | |
| SCHEMBL31736350 | 0.76 | HCAR2 (0.58) | — | |
| SCHEMBL4906886 | 0.74 | HCAR2 (0.56) | — |
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-9711728-B1 | Fused thiophene-based conjugated polymers and their use in optoelectronic devices | NORTHWESTERN UNIVERSITY (US) | 2017-07-18 | — | — | US | disclosed |