⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10941717 | 0.73 | — | — | |
| SCHEMBL6586667 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7297923 | 0.71 | — | — | |
| SCHEMBL22139410 | 0.67 | — | — | |
| SCHEMBL669306 | 0.66 | — | — | |
| SCHEMBL7361425 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27585259 | 0.64 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL9847617 | 0.63 | NOS3 (0.42) | — | |
| Water SCHEMBL20837969 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL21409696 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999048911-A1 | MONOBACTAM ENZYME INHIBITORS | NAEJA PHARMACEUTICAL INC. (GB) | 1999-09-30 | — | — | WO | disclosed |