⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28985043 | 0.83 | — | — | |
| SCHEMBL14795189 | 0.81 | — | — | |
| SCHEMBL16599779 | 0.79 | — | — | |
| Water SCHEMBL28435262 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL1161015 | 0.75 | — | — | |
| SCHEMBL28263163 | 0.72 | ALDH1A1 (0.53) | — | |
| SCHEMBL322454 | 0.72 | — | — | |
| SCHEMBL542866 | 0.72 | — | — | |
| SCHEMBL131091 | 0.71 | — | — | |
| SCHEMBL1965420 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4115566-A | 7α Ureido cephem-4-carboxylic acid derivatives | CIBA-GEIGY CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-3954802-A | Substituted-ureido derivatives of penam 3-carboxylic acid and cephem 4-carboxylic acid | CIBA-GEIGY CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |