⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10976699 | 0.81 | MAPT (0.32) | — | |
| SCHEMBL3214493 | 0.81 | — | — | |
| SCHEMBL16521881 | 0.79 | GAA (0.30) | — | |
| SCHEMBL15235664 | 0.79 | AKR1C4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6069035 | 0.78 | — | — | |
| SCHEMBL25937413 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL15656488 | 0.78 | — | — | |
| SCHEMBL14518643 | 0.78 | CYP1A2 (0.34) | — | |
| SCHEMBL9382717 | 0.76 | — | — | |
| SCHEMBL11502461 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170312363-A1 | MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR | XIAMEN SINOPEG BIOTECH CO., LTD. (CN) | 2017-11-02 | — | — | US | disclosed |
| US-20170210994-A1 | LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE INCLUDING THE SAME, AND METHOD OF MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE | TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) | 2017-07-27 | — | — | US | disclosed |
| WO-2016086169-A1 | BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2016-06-02 | — | — | WO | disclosed |
| US-20160145296-A1 | BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2016-05-26 | — | — | US | disclosed |
| US-8791303-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2014-07-29 | — | — | US | disclosed |
| US-7132425-B2 | 5-substituted-six-membered heteroaromatic glucokinase activators | HOFFMANN-LA ROCHE INC. (US) | 2006-11-07 | — | — | US | disclosed |
| US-4546104-A | Pyrazolopyridine cycloalkanones and process for their preparation | ICI AMERICAS INC. (US) | 1985-10-08 | — | — | US | disclosed |
| EP-0141608-A2 | Pyrazolopyridine cycloalkanone derivatives | ICI AMERICAS INC. (US) | 1985-05-15 | — | — | EP | disclosed |
| US-3954984-A | ANTISECRETRETORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS | RICHARDSON-MERRELL INC. (US) | 1976-05-04 | — | — | US | disclosed |