⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14882722 | 0.67 | — | — | |
| SCHEMBL10575537 | 0.65 | — | — | |
| SCHEMBL7118773 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL19723446 | 0.61 | — | — | |
| SCHEMBL11807437 | 0.61 | — | — | |
| SCHEMBL23605007 | 0.61 | — | — | |
| SCHEMBL975436 | 0.61 | — | — | |
| SCHEMBL882435 | 0.61 | — | — | |
| SCHEMBL15590897 | 0.61 | — | — | |
| SCHEMBL4756675 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0686613-B1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KK (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-5770729-A | SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0686613-A1 | OZONIDE REDUCING AGENT | OTSUKA KAGAKU KABUSHIKI KAISHA (JP) | 1995-12-13 | — | — | EP | disclosed |