⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL220093 | 0.86 | CA2 (0.50) | — | |
| SCHEMBL27906111 | 0.80 | CA2 (0.40) | — | |
| SCHEMBL856042 | 0.80 | — | — | |
| SCHEMBL22731942 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL27830331 | 0.80 | SIGMAR1 (0.46) | — | |
| SCHEMBL29586735 | 0.78 | CA2 (0.50) | — | |
| SCHEMBL19629162 | 0.77 | CA2 (0.38) | — | |
| SCHEMBL4660402 | 0.75 | CA2 (0.58) | — | |
| Thiophene SCHEMBL28205716 | 0.74 | CA2 (0.42) | — | |
| SCHEMBL3613047 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1878769-A | Cytokine inhibitors | KEMIA INC (US) | 2006-12-13 | — | — | CN | claimed |
| CN-104302630-A | (2-ureidoacetamido)alkyl derivatives as formyl peptide receptor 2 modulators | ALLERGAN INC | 2015-01-21 | — | — | CN | disclosed |
| CN-102060806-A | Cytokine inhibitors | ITHERX PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | disclosed |
| CN-1878769-A | Cytokine inhibitors | KEMIA INC (US) | 2006-12-13 | — | — | CN | disclosed |