⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9480645 | 0.83 | KDM1A (0.40) | — | |
| SCHEMBL3381091 | 0.82 | — | — | |
| SCHEMBL9480417 | 0.79 | BACE1 (0.38) | — | |
| SCHEMBL31051602 | 0.79 | — | — | |
| SCHEMBL669824 | 0.79 | — | — | |
| SCHEMBL9479422 | 0.78 | BACE1 (0.37) | — | |
| SCHEMBL23852687 | 0.77 | — | — | |
| SCHEMBL580627 | 0.77 | — | — | |
| SCHEMBL3381094 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5036129 | 0.77 | CASP3 (0.42) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117295717-A | LPA receptor antagonists and uses thereof | 吉利德科学公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-105324376-B | Heteroaromatics and its purposes as dopamine D 1 part | 辉瑞大药厂 | 2017-06-23 | — | — | CN | disclosed |
| US-6576765-B2 | Process for preparing amic acid esters | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-06-10 | — | — | US | disclosed |
| US-20030032667-A1 | PROCESS FOR PREPARING AMIC ACID ESTERS | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2003-02-13 | — | — | US | disclosed |
| EP-1182199-A1 | PROCESS FOR PREPARING AMIC ACID ESTERS | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2002-02-27 | — | — | EP | disclosed |
| EP-0247381-B1 | 5-FLUROROURACIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-08-04 | — | — | EP | disclosed |
| US-5047521-A | Anticarcinogenic agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-09-10 | — | — | US | disclosed |
| EP-0247381-A2 | 5-flurorouracil derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-12-02 | — | — | EP | disclosed |
| US-4053478-A | ARTERIOSCLEROSIS, THROMBOSIS, HYPERTENSION | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) | 1977-10-11 | — | — | US | disclosed |
| US-4012412-A | USEFUL IN THE TREATMENT OF HYPERTENSION, ARTERIOSCLEROSIS, AND THROMBOSIS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) | 1977-03-15 | — | — | US | disclosed |