⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11485124 | 1.00 | — | — | |
| SCHEMBL525195 | 0.87 | LMNA (0.36) | — | |
| SCHEMBL22802922 | 0.81 | EPHX1 (0.46) | — | |
| SCHEMBL9172901 | 0.79 | LMNA (0.32) | — | |
| SCHEMBL21700190 | 0.78 | — | — | |
| SCHEMBL4202303 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL2630682 | 0.75 | — | — | |
| SCHEMBL4211600 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL10803493 | 0.74 | — | — | |
| Acetic Acid SCHEMBL3841808 | 0.74 | FFAR3 (0.39) | — |
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-3135668-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2017-03-01 | — | — | EP | disclosed |