⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL284084 | 0.82 | — | — | |
| SCHEMBL6060982 | 0.76 | — | — | |
| SCHEMBL29854 | 0.70 | — | — | |
| SCHEMBL181216 | 0.70 | — | — | |
| SCHEMBL30539229 | 0.67 | — | — | |
| Methane SCHEMBL19511813 | 0.67 | — | — | |
| SCHEMBL28636235 | 0.67 | — | — | |
| Lithium SCHEMBL3206041 | 0.67 | — | — | |
| SCHEMBL28459377 | 0.67 | — | — | |
| Ethane SCHEMBL19511829 | 0.67 | — | — |
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-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | claimed |
| WO-2008134429-A1 | CYSTEINE PROTEINASE INHIBITORS AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-11-06 | — | — | WO | disclosed |