⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23551384 | 0.81 | — | — | |
| SCHEMBL3084598 | 0.76 | — | — | |
| SCHEMBL9064028 | 0.71 | — | — | |
| SCHEMBL8553503 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL8670919 | 0.67 | SRD5A2 (0.35) | — | |
| SCHEMBL24822784 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL153091 | 0.64 | — | — | |
| SCHEMBL13872384 | 0.62 | L3MBTL1 (0.39) | — | |
| SCHEMBL147228 | 0.62 | — | — | |
| SCHEMBL11321959 | 0.60 | SMN1; SMN2 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073339-A1 | PYRIDINE DERIVATIVES | ENDO PHARMACEUTICALS, INC. | 2017-03-16 | — | — | US | disclosed |
| EP-0883622-A1 | PROTON PUMP INHIBITOR | APOTEX INC. (CA) | 1998-12-16 | — | — | EP | disclosed |
| EP-0883606-A1 | PROCESS FOR SCAVENGING THIOLS | APOTEX INC. (CA) | 1998-12-16 | — | — | EP | disclosed |
| WO-1997031923-A1 | PROTON PUMP INHIBITOR | APOTEX INC. (CA) | 1997-09-04 | — | — | WO | disclosed |
| WO-1997031893-A1 | PROCESS FOR SCAVENGING THIOLS | APOTEX INC. (CA) | 1997-09-04 | — | — | WO | disclosed |