⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10113926 | 0.84 | ACHE (0.41) | — | |
| Ethylene SCHEMBL9551156 | 0.79 | ACHE (0.38) | — | |
| Ethylene Glycol SCHEMBL9551159 | 0.77 | ACHE (0.38) | — | |
| SCHEMBL28254908 | 0.77 | EPHX1 (0.50) | — | |
| SCHEMBL720346 | 0.77 | — | — | |
| SCHEMBL12964052 | 0.76 | CA12 (0.33) | — | |
| SCHEMBL11741059 | 0.75 | ACHE (0.50) | — | |
| SCHEMBL8282495 | 0.75 | — | — | |
| SCHEMBL722127 | 0.75 | — | — | |
| SCHEMBL5297614 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103007-A | Amide compound | TAKEDA PHARMACEUTICAL (JP) | 2008-01-09 | — | — | CN | disclosed |
| CN-1124846-C | N, N' -bis (sulfonyl) hydrazines as antitumor agents | UNIV YALE (US) | 2003-10-22 | — | — | CN | disclosed |
| CN-1278169-A | N, N' -bis (sulfonyl) hydrazines as antitumor agents | UNIV YALE (US) | 2000-12-27 | — | — | CN | disclosed |