⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4018747 | 0.86 | CYP11B1 (0.31) | — | |
| SCHEMBL4018934 | 0.82 | PDE2A (0.31) | — | |
| SCHEMBL4025845 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL4018376 | 0.71 | CYP19A1 (0.37) | — | |
| SCHEMBL8188378 | 0.64 | KMT2A (0.46) | — | |
| SCHEMBL15649336 | 0.62 | BRD4 (0.34) | — | |
| SCHEMBL5447440 | 0.62 | CYP19A1 (0.36) | — | |
| SCHEMBL17710274 | 0.61 | GRM5 (0.35) | — | |
| SCHEMBL2886936 | 0.61 | CYP11B1 (0.37) | — | |
| SCHEMBL6861227 | 0.60 | GRM5 (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-2009093981-A1 | TRIAZINE COMPOUNDS AS KINASE INHIBITORS | S BIO PTE LTD (SG) | 2009-07-30 | — | — | WO | disclosed |