⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28371970 | 0.75 | MMP2 (0.32) | — | |
| SCHEMBL42265 | 0.74 | — | — | |
| SCHEMBL29135100 | 0.72 | CA1 (0.37) | — | |
| Magnesium Chloride Anhydrous SCHEMBL20694979 | 0.71 | ENPP2 (0.36) | — | |
| SCHEMBL1187355 | 0.70 | — | — | |
| SCHEMBL20338477 | 0.70 | — | — | |
| SCHEMBL1138294 | 0.70 | — | — | |
| SCHEMBL14799960 | 0.70 | — | — | |
| Benzene SCHEMBL28042387 | 0.67 | TRPV6 (0.50) | — | |
| SCHEMBL244920 | 0.67 | TRPV6 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431427-B | Novel PDE 4 inhibitor | 明治制果药业株式会社 | 2017-12-08 | — | — | CN | disclosed |
| CN-105431427-A | Novel PDE4 inhibitor | MEIJI SEIKA PHARMA CO LTD | 2016-03-23 | — | — | CN | disclosed |