⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL424979 | 0.73 | — | — | |
| SCHEMBL674965 | 0.71 | — | — | |
| SCHEMBL3777302 | 0.69 | — | — | |
| SCHEMBL9445329 | 0.67 | TSHR (0.48) | — | |
| SCHEMBL14803778 | 0.67 | — | — | |
| Dimethyl Sulfone SCHEMBL10688265 | 0.65 | — | — | |
| Bicarbonate SCHEMBL7692947 | 0.62 | — | — | |
| SCHEMBL3584170 | 0.62 | — | — | |
| SCHEMBL28830184 | 0.62 | KDM4E (0.42) | — | |
| Hydrogen Peroxide SCHEMBL28178154 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196411-B1 | BRADYKININ B1 RECEPTOR ANTAGONISTS | PHARMACOPEIA INC (US) | 2003-09-17 | — | — | EP | claimed |