⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19632517 | 0.75 | — | — | |
| SCHEMBL18411571 | 0.75 | — | — | |
| SCHEMBL10212343 | 0.75 | — | — | |
| SCHEMBL21706412 | 0.75 | — | — | |
| SCHEMBL18714867 | 0.75 | — | — | |
| SCHEMBL19114388 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL290410 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL1005520 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL18723239 | 0.72 | — | — | |
| SCHEMBL24503508 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021113524-A2 | GLP2 RECEPTOR AGONISTS AND METHODS OF USE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-06-10 | — | — | WO | disclosed |
| US-20170114046-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES | ENANTA PHARM INC (US) | 2017-04-27 | — | — | US | disclosed |
| US-20170112868-A1 | 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections | NOVARTIS AG (CH) | 2017-04-27 | — | — | US | disclosed |
| EP-2220019-A1 | HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES | Givaudan SA (CH) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009065244-A1 | HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES | GIVAUDAN SA (CH) | 2009-05-28 | — | — | WO | disclosed |
| EP-1337536-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | ExxonMobil Chemical Patents Inc. (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002032909-A1 | CATIONIC GROUP-3 CATALYST SYSTEM | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-04-25 | — | — | WO | disclosed |