⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7781379 | 0.97 | — | — | |
| SCHEMBL15450049 | 0.87 | — | — | |
| SCHEMBL6753813 | 0.79 | — | — | |
| SCHEMBL3394984 | 0.79 | — | — | |
| SCHEMBL8192566 | 0.78 | DNM1 (0.46) | — | |
| SCHEMBL14621559 | 0.78 | DNM1 (0.46) | — | |
| SCHEMBL2233011 | 0.77 | — | — | |
| SCHEMBL17866352 | 0.77 | — | — | |
| SCHEMBL2058432 | 0.77 | — | — | |
| SCHEMBL27867647 | 0.77 | CA12 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1373233-B1 | DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI AVENTIS (FR) | 2007-09-05 | — | — | EP | disclosed |
| CN-1642600-A | 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines | PROCTER & GAMBLE (US) | 2005-07-20 | — | — | CN | disclosed |