⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21791083 | 0.82 | OPRM1 (0.36) | — | |
| SCHEMBL19080638 | 0.78 | LMNA (0.36) | — | |
| SCHEMBL26409832 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL12128892 | 0.72 | — | — | |
| SCHEMBL1661667 | 0.72 | — | — | |
| SCHEMBL18220604 | 0.72 | — | — | |
| SCHEMBL24004511 | 0.72 | CRHBP (0.38) | — | |
| SCHEMBL19090799 | 0.72 | SMN1; SMN2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL11847606 | 0.72 | OPRM1 (0.37) | — | |
| SCHEMBL11565850 | 0.72 | SMN1; SMN2 (0.33) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3831824-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020024997-A1 | PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |
| WO-2020025030-A1 | PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION | 上海轶诺药业有限公司 | 2020-02-06 | — | — | WO | disclosed |
| EP-2569324-B9 | AMINOGLYCOSIDE DERIVATIVES | REMPEX PHARMACEUTICALS INC (US) | 2018-03-28 | — | — | EP | disclosed |
| EP-2569324-B1 | AMINOGLYCOSIDE DERIVATIVES | REMPEX PHARMACEUTICALS INC (US) | 2017-12-06 | — | — | EP | disclosed |
| US-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| EP-2306994-B1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC (US) | 2013-08-14 | — | — | EP | disclosed |
| EP-2306994-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | Amgen, Inc (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7842685-B2 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-11-30 | — | — | US | disclosed |
| US-20100029611-A1 | S1P1 receptor agonists and use thereof | AMGEN INC. (US) | 2010-02-04 | — | — | US | disclosed |
| WO-2009154775-A1 | S1P1 RECEPTOR AGONISTS AND USE THEREOF | AMGEN INC. (US) | 2009-12-23 | — | — | WO | disclosed |
| WO-2008124821-A1 | ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS | ACHAOGEN INC. (US) | 2008-10-16 | — | — | WO | disclosed |
| EP-0001280-B1 | 1-N-ACYLATED-4-O-GLYCOSYL-6-O-GLYCOSYL-1,3-DIAMINOCYCLITOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SHIONOGI & CO., LTD. (JP) | 1981-11-25 | — | — | EP | disclosed |
| US-4199570-A | AZETIDINE, PYRROLIDINE, OR PIPERIDINE | SHIONOGI & CO., LTD. (JP) | 1980-04-22 | — | — | US | disclosed |
| EP-0001280-A2 | 1-N-acylated-4-O-glycosyl-6-O-glycosyl-1,3-diaminocyclitol derivatives, process for their preparation and pharmaceutical compositions containing them | SHIONOGI & CO., LTD. (JP) | 1979-04-04 | — | — | EP | disclosed |