⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13520556 | 0.81 | — | — | |
| SCHEMBL1021333 | 0.77 | — | — | |
| SCHEMBL31547391 | 0.74 | — | — | |
| SCHEMBL16922830 | 0.68 | ALOX5 (0.31) | — | |
| SCHEMBL2183703 | 0.67 | — | — | |
| SCHEMBL3188614 | 0.67 | — | — | |
| SCHEMBL14039824 | 0.67 | ESR1 (0.31) | — | |
| SCHEMBL8200634 | 0.66 | RAB9A (0.42) | — | |
| SCHEMBL8234128 | 0.66 | — | — | |
| SCHEMBL21719916 | 0.65 | POLB (0.30) | — |
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-20120035331-A1 | POLYALKYLTHIOPHENE BLOCK COPOLYMER AND A METHOD OF PREPARING THE SAME THROUGH A RING-OPENING METATHESIS POLYMERIZATION REACTION | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2012-02-09 | — | — | US | disclosed |