⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1997702 | 0.71 | — | — | |
| SCHEMBL288154 | 0.67 | CYP19A1 (0.31) | — | |
| SCHEMBL23139045 | 0.67 | — | — | |
| SCHEMBL31234318 | 0.67 | CYP19A1 (0.32) | — | |
| SCHEMBL21585772 | 0.63 | MALT1 (0.39) | — | |
| SCHEMBL21581993 | 0.63 | MEN1 (0.50) | — | |
| SCHEMBL16060117 | 0.61 | LMNA (0.34) | — | |
| SCHEMBL31596139 | 0.61 | KCNMA1 (0.35) | — | |
| SCHEMBL31589020 | 0.61 | DAGLA (0.33) | — | |
| SCHEMBL21598709 | 0.59 | — | — |
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-2017134685-A2 | NOVEL HYDRAZINO COMPOUNDS AS BTK INHIBITORS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |