⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1077298 | 0.72 | — | — | |
| SCHEMBL56468 | 0.72 | — | — | |
| SCHEMBL13866601 | 0.70 | — | — | |
| SCHEMBL11601815 | 0.67 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL125800 | 0.67 | — | — | |
| SCHEMBL388497 | 0.65 | — | — | |
| SCHEMBL13862155 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL7600300 | 0.65 | ALDH1A1 (0.47) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28774918 | 0.65 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL8472125 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167489-B1 | PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS | SUNESIS PHARMACEUTICALS INC (US) | 2017-05-03 | — | — | EP | disclosed |
| WO-2012058219-A2 | DEUTERIUM ENRICHED RASAGILINE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2012-05-03 | — | — | WO | disclosed |