⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13677517 | 0.89 | KDM4E (0.34) | — | |
| SCHEMBL13617006 | 0.82 | HTR2C (0.37) | — | |
| SCHEMBL13677449 | 0.73 | CYSLTR2 (0.32) | — | |
| SCHEMBL6075251 | 0.66 | LIPG (0.44) | — | |
| SCHEMBL2554415 | 0.62 | EGFR (0.40) | — | |
| SCHEMBL27839580 | 0.62 | EGFR (0.40) | — | |
| SCHEMBL227298 | 0.62 | EGFR (0.40) | — | |
| SCHEMBL30865024 | 0.62 | EGFR (0.40) | — | |
| SCHEMBL10474120 | 0.61 | CYP1A2 (0.41) | — | |
| SCHEMBL27839575 | 0.60 | EGFR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2116528-A1 | Method of preparing derivatives of poly(arylene vinylene) and method of preparing an electronic device including same | IMEC (BE) | 2009-11-11 | — | — | EP | disclosed |