⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL486713 | 0.93 | — | — | |
| SCHEMBL11002848 | 0.78 | — | — | |
| Chloroform SCHEMBL2074157 | 0.78 | — | — | |
| SCHEMBL91 | 0.61 | — | — | |
| SCHEMBL365541 | 0.55 | — | — | |
| SCHEMBL10886783 | 0.55 | — | — | |
| Fluoride SCHEMBL6881674 | 0.55 | — | — | |
| Methane SCHEMBL2045187 | 0.55 | — | — | |
| Formaldehyde SCHEMBL7864554 | 0.50 | — | — | |
| Hno SCHEMBL7785053 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004045539-A9 | ANTI-MICROBIAL AGENTS DERIVED FROM METHIONINE SULFOXIMINE ANALOGUES | UNIV CALIFORNIA (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004045539-A2 | ANTI-MICROBIAL AGENTS DERIVED FROM METHIONINE SULFOXIMINE ANALOGUES | REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2004-06-03 | — | — | WO | disclosed |