⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27635626 | 0.81 | — | — | |
| SCHEMBL10678930 | 0.76 | KMT2A (0.33) | — | |
| SCHEMBL5177444 | 0.72 | — | — | |
| SCHEMBL28370935 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL5540568 | 0.71 | KMT2A (0.55) | — | |
| SCHEMBL2806109 | 0.69 | — | — | |
| SCHEMBL28301452 | 0.69 | — | — | |
| SCHEMBL28370938 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL2644861 | 0.69 | — | — | |
| SCHEMBL5544260 | 0.69 | LMNA (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102613209-A | Group of 4-halogenated methyl-1, 2, 3-thiodiazole compounds and preparation method and application thereof | UNIV NANKAI | 2012-08-01 | — | — | CN | disclosed |