⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8823152 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8394554 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8394550 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8396944 | 0.89 | — | — | |
| SCHEMBL8762683 | 0.89 | — | — | |
| SCHEMBL5099297 | 0.89 | — | — | |
| SCHEMBL8762674 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8396952 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7469951 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8176562 | 0.88 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9048785-A | — | — | None | — | — | JP | disclosed |
| JP-H0948785-A | CEPHEM COMPOUND, ITS PRODUCTION AND ANTIBACTERIAL COMPOSITION | TAKEDA CHEM IND LTD | 1997-02-18 | — | — | JP | disclosed |
| WO-1996023798-A1 | CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-08 | — | — | WO | disclosed |