⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1414082 | 0.72 | — | — | |
| SCHEMBL14481424 | 0.72 | — | — | |
| SCHEMBL1118432 | 0.69 | — | — | |
| SCHEMBL1118434 | 0.69 | — | — | |
| SCHEMBL5583446 | 0.67 | — | — | |
| SCHEMBL246941 | 0.65 | — | — | |
| SCHEMBL1377751 | 0.65 | — | — | |
| SCHEMBL17474262 | 0.65 | — | — | |
| SCHEMBL1118561 | 0.65 | — | — | |
| SCHEMBL27835208 | 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 |
|---|---|---|---|---|---|---|---|
| CN-110114358-B | Novel compound and pharmacologically acceptable salt thereof | 明治制果药业株式会社 | 2021-12-03 | — | — | CN | disclosed |
| CN-112312914-A | Therapeutic agent for inflammatory disease, autoimmune disease, fibrotic disease, and cancer disease | 明治制果药业株式会社 | 2021-02-02 | — | — | CN | disclosed |
| WO-2020004521-A1 | THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES | Ｍｅｉｊｉ Ｓｅｉｋａファルマ株式会社 | 2020-01-02 | — | — | WO | disclosed |