⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17467948 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL27796274 | 0.74 | — | — | |
| SCHEMBL28047184 | 0.69 | THRB (0.30) | — | |
| SCHEMBL14508466 | 0.65 | — | — | |
| SCHEMBL21340136 | 0.65 | CPT2 (0.39) | — | |
| SCHEMBL11312959 | 0.65 | CETP (0.42) | — | |
| SCHEMBL15043912 | 0.65 | — | — | |
| SCHEMBL14534206 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL918481 | 0.62 | LMNA (0.33) | — | |
| SCHEMBL27455898 | 0.62 | LMNA (0.33) | — |
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-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |