⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28470817 | 0.97 | — | — | |
| SCHEMBL13834150 | 0.78 | CYP4F2 (0.43) | — | |
| SCHEMBL22211729 | 0.78 | MEN1 (0.48) | — | |
| SCHEMBL10987435 | 0.78 | ALDH1A1 (0.45) | — | |
| SCHEMBL35822 | 0.78 | — | — | |
| SCHEMBL12547206 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL14616987 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL15759831 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL118704 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1262868 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115888780-A | CuFeS 2 /MXene composite nano material and preparation method thereof | 扬州大学 | 2023-04-04 | — | — | CN | disclosed |
| CN-110903475-B | Co-production method of 2- (2-amino-propoxy) ethanol and polyether polyol | 红宝丽集团股份有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-110903475-A | Co-production method of 2- (2-amino-propoxy) ethanol and polyether polyol | 红宝丽集团股份有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-105541552-B | A kind of glycol dimethyl ether azeotropic mixture extraction rectifying method | 济南大学 | 2017-09-29 | — | — | CN | disclosed |
| CN-105061146-A | Batch distillation process for separating isopropanol-acetonitrile azeotrope through mixed extraction agent | UNIV JINAN | 2015-11-18 | — | — | CN | disclosed |
| CN-105061145-A | Batch distillation process for separating isopropanol-methyl isobutyrate azeotrope through mixed extraction agent | UNIV JINAN | 2015-11-18 | — | — | CN | disclosed |
| CN-104629936-A | Safe mild detergent | QINGDAO JINLIANXIN TRADING CO LTD | 2015-05-20 | — | — | CN | disclosed |
| EP-0990657-B1 | PROCESS FOR PRODUCING FINE ORGANOMETALLIC PARTICLES AND CATALYST FOR POLYMERIZATION | NIPPON CATALYTIC CHEM IND (JP) | 2003-09-03 | — | — | EP | disclosed |
| US-6084059-A | Production process for organometallic fine particle and catalyst for polymerization | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-07-04 | — | — | US | disclosed |
| EP-0990657-A1 | PROCESS FOR PRODUCING FINE ORGANOMETALLIC PARTICLES AND CATALYST FOR POLYMERIZATION | Nippon Shokubai Co., Ltd. (JP) | 2000-04-05 | — | — | EP | disclosed |
| EP-0243969-A2 | Process for alkylene oxide polymerization | UNION CARBIDE CORPORATION (US) | 1987-11-04 | — | — | EP | disclosed |
| EP-0239973-A2 | Catalyst and process for alkylene oxide polymerization | UNION CARBIDE CORPORATION (US) | 1987-10-07 | — | — | EP | disclosed |