⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15044483 | 0.81 | — | — | |
| SCHEMBL10055489 | 0.71 | CYP2C9 (0.50) | — | |
| SCHEMBL10055215 | 0.69 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL10057071 | 0.67 | WDR5 (0.37) | — | |
| SCHEMBL10056850 | 0.65 | CYP2D6 (0.43) | — | |
| SCHEMBL10056326 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL15044357 | 0.65 | TDP1 (0.39) | — | |
| SCHEMBL10056291 | 0.60 | TSHR (0.56) | — | |
| SCHEMBL10055319 | 0.60 | CYP2C9 (0.48) | — | |
| SCHEMBL10057054 | 0.59 | SMN1; SMN2 (0.48) | — |
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 |