⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2158372 | 0.69 | — | — | |
| SCHEMBL10714896 | 0.65 | BCHE (0.30) | — | |
| SCHEMBL8914514 | 0.62 | MAP2K7 (0.30) | — | |
| SCHEMBL8917405 | 0.62 | MAP2K7 (0.30) | — | |
| SCHEMBL8687335 | 0.61 | CA2 (0.37) | — | |
| SCHEMBL2992927 | 0.59 | MAPT (0.37) | — | |
| SCHEMBL6865366 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL712432 | 0.58 | ALDH1A1 (0.34) | — | |
| SCHEMBL2991243 | 0.58 | CA1 (0.33) | — | |
| SCHEMBL931102 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5616581-A | BACTERICIDES | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| EP-0729957-A1 | PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5504082-A | BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-04-02 | — | — | US | disclosed |