⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15075518 | 0.81 | ESPL1 (0.31) | — | |
| SCHEMBL15075537 | 0.79 | HTT (0.30) | — | |
| SCHEMBL25159174 | 0.71 | KDM4E (0.37) | — | |
| SCHEMBL15057255 | 0.71 | NOTUM (0.32) | — | |
| SCHEMBL17875092 | 0.67 | KMT2A (0.33) | — | |
| SCHEMBL17875094 | 0.64 | HTT (0.33) | — | |
| SCHEMBL15076092 | 0.63 | FFAR1 (0.34) | — | |
| SCHEMBL15057443 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL10188397 | 0.62 | LMNA (0.36) | — | |
| SCHEMBL14240753 | 0.62 | L3MBTL1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013092858-A1 | PROCESS FOR MANUFACTURING TRIAZINON-BENZOXAZINONES | BASF SE (DE) | 2013-06-27 | — | — | WO | disclosed |