⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18661328 | 1.00 | — | — | |
| SCHEMBL2246543 | 0.81 | — | — | |
| SCHEMBL3703272 | 0.79 | KISS1R (0.42) | — | |
| SCHEMBL21040066 | 0.79 | — | — | |
| SCHEMBL18412654 | 0.79 | — | — | |
| SCHEMBL1719873 | 0.79 | — | — | |
| Water SCHEMBL1741352 | 0.77 | — | — | |
| SCHEMBL337338 | 0.73 | — | — | |
| SCHEMBL4868603 | 0.73 | — | — | |
| SCHEMBL3030406 | 0.73 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170044115-A1 | NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2017-02-16 | — | — | US | disclosed |