⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31296252 | 0.78 | THRB (0.44) | — | |
| SCHEMBL1074130 | 0.78 | — | — | |
| SCHEMBL31296265 | 0.78 | THRB (0.44) | — | |
| SCHEMBL14777873 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL2004332 | 0.73 | — | — | |
| SCHEMBL21618241 | 0.71 | — | — | |
| Bromoacetal SCHEMBL103234 | 0.71 | — | — | |
| SCHEMBL4489712 | 0.71 | — | — | |
| SCHEMBL9714481 | 0.71 | THRB (0.38) | — | |
| SCHEMBL8469025 | 0.69 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117603242-A | Preparation method of trans-1-ethoxyvinyl-2-boric acid pinacol ester | 沧州普瑞东方科技有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-113398010-B | Intelligent temperature-sensitive hair dye capable of reducing aniline substances from entering human body and preparation method of intelligent temperature-sensitive hair dye | 江南大学 | 2022-03-04 | — | — | CN | claimed |
| CN-113398010-A | Intelligent temperature-sensitive hair dye capable of reducing aniline substances from entering human body and preparation method of intelligent temperature-sensitive hair dye | 江南大学 | 2021-09-17 | — | — | CN | claimed |
| CN-117603242-A | Preparation method of trans-1-ethoxyvinyl-2-boric acid pinacol ester | 沧州普瑞东方科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117603242-A | Preparation method of trans-1-ethoxyvinyl-2-boric acid pinacol ester | 沧州普瑞东方科技有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-113398010-B | Intelligent temperature-sensitive hair dye capable of reducing aniline substances from entering human body and preparation method of intelligent temperature-sensitive hair dye | 江南大学 | 2022-03-04 | — | — | CN | disclosed |
| CN-113398010-A | Intelligent temperature-sensitive hair dye capable of reducing aniline substances from entering human body and preparation method of intelligent temperature-sensitive hair dye | 江南大学 | 2021-09-17 | — | — | CN | disclosed |
| WO-2013116818-A1 | POLYPHTHALATE PLASTICIZERS THAT DO NOT RELEASE ENDOCRINE DISRUPTING COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-08-08 | — | — | WO | disclosed |
| US-7902179-B2 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2011-03-08 | — | — | US | disclosed |
| US-20040147546-A1 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1396493-A1 | HETEROCYCLIC COMPOUNDS | Ajinomoto Co., Inc. (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-4404393-A | 15-Deoxy-16-hydroxy-16-(1'fluorovinyl) prostaglandins and derivatives | AMERICAN CYANAMID COMPANY (US) | 1983-09-13 | — | — | US | disclosed |
| US-4298754-A | 15-Deoxy-16-hydroxy-16-(1'fluorovinyl) prostaglandins and derivatives | AMERICAN CYANAMID COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4297516-A | PROSTAGLANDINS | AMERICAN CYANAMID COMPANY (US) | 1981-10-27 | — | — | US | disclosed |
| US-4254036-A | 1-Hydroxymethyl-1-oxo-prostane-derivatives of the E, A and F-series | AMERICAN CYANAMID COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| EP-0015056-A1 | 1-Hydroxymethyl-1-oxo-prostane derivatives of the E, A and F series | AMERICAN CYANAMID COMPANY (US) | 1980-09-03 | — | — | EP | disclosed |