⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1188965 | 1.00 | — | — | |
| SCHEMBL1189608 | 1.00 | — | — | |
| SCHEMBL82072 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL17272031 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1188804 | 0.97 | BIRC2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL22576775 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1191003 | 0.97 | BIRC2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL1191130 | 0.97 | BIRC2 (0.36) | — | |
| Piperazine SCHEMBL28119784 | 0.93 | BIRC2 (0.34) | — | |
| Piperazine SCHEMBL28304131 | 0.91 | BIRC2 (0.33) | — |
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-6114531-A | Process for preparing quinolone and naphthyridone carboxylic acids | PFIZER INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0976749-A1 | Process for preparing quinolone and naphthyridone carboxylic acids | Pfizer Products Inc. (US) | 2000-02-02 | — | — | EP | disclosed |