⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9092968 | 0.74 | PGK1 (0.36) | — | |
| SCHEMBL2168948 | 0.73 | — | — | |
| SCHEMBL2901795 | 0.69 | — | — | |
| SCHEMBL20973025 | 0.69 | — | — | |
| SCHEMBL8526099 | 0.68 | CYP1A2 (0.41) | — | |
| SCHEMBL336316 | 0.68 | — | — | |
| SCHEMBL30087109 | 0.68 | HPGDS (0.30) | — | |
| SCHEMBL27176907 | 0.68 | HPGDS (0.30) | — | |
| SCHEMBL23043878 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL2160545 | 0.67 | — | — |
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-5583227-A | INHIBIT SECRETION OF GASTRIC ACID | MOCHIDA PHARMACEUTICAL CO. LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0685468-A1 | Pyrazine and quinoxaline derivatives and their use as anti-ulcer agents | Mochida Pharmaceutical Co., Ltd. (JP) | 1995-12-06 | — | — | EP | disclosed |