⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13839056 | 0.67 | CA1 (0.35) | — | |
| SCHEMBL257427 | 0.63 | — | — | |
| SCHEMBL9599429 | 0.59 | — | — | |
| SCHEMBL456665 | 0.59 | — | — | |
| SCHEMBL10050821 | 0.58 | — | — | |
| SCHEMBL10288384 | 0.57 | — | — | |
| SCHEMBL13463308 | 0.57 | — | — | |
| SCHEMBL1145502 | 0.57 | — | — | |
| SCHEMBL14458792 | 0.56 | — | — | |
| SCHEMBL12166378 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3187496-A1 | COMPOUND FOR PHOTOACTIVE ORGANIC ELECTRONIC DEVICES AND PHOTOACTIVE ORGANIC ELECTRONIC COMPONENT CONTAINING THE COMPOUND | Heliatek GmbH (DE) | 2017-07-05 | — | — | EP | disclosed |
| EP-1012145-A1 | ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHIBITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 2000-06-28 | — | — | EP | disclosed |
| WO-1999011628-A1 | ALKOXY-SUBSTITUTED COMPOUNDS, METHODS, AND COMPOSITIONS FOR INHI BITING PARP ACTIVITY | GUILFORD PHARMACEUTICALS INC. (US) | 1999-03-11 | — | — | WO | disclosed |