⚠ 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 SCHEMBL7369054 | 0.97 | — | — | |
| SCHEMBL1005729 | 0.79 | HTR2A (0.35) | — | |
| SCHEMBL8494604 | 0.79 | — | — | |
| SCHEMBL23451716 | 0.73 | — | — | |
| SCHEMBL4531861 | 0.71 | — | — | |
| SCHEMBL19402429 | 0.71 | — | — | |
| SCHEMBL25688729 | 0.71 | — | — | |
| SCHEMBL60722 | 0.71 | — | — | |
| SCHEMBL8490629 | 0.71 | — | — | |
| SCHEMBL8491212 | 0.71 | PLA2G1B (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11780961-B2 | Organic metal-free catalysts with electrophilic and nucleophilic dual-functions, preparation methods of making the same, and uses thereof | ZHEJIANG UNIVERSITY (CN) | 2023-10-10 | — | — | US | disclosed |
| US-11780961-B2 | Organic metal-free catalysts with electrophilic and nucleophilic dual-functions, preparation methods of making the same, and uses thereof | ZHEJIANG UNIVERSITY (CN) | 2023-10-10 | — | — | US | disclosed |
| WO-2020057356-A1 | ORGANIC METAL-FREE CATALYST HAVING BOTH ELECTROPHILIC AND NUCLEOPHILIC FUNCTIONS, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 浙江大学 | 2020-03-26 | — | — | WO | disclosed |
| EP-0676237-B1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEM CORP (JP) | 1999-03-17 | — | — | EP | disclosed |
| US-5589517-A | N,N-DI-SUBSTITITUTED MERCAPTOALKYLAMINE SULFONIC ACID ION EXCHANGE RESIN AS CATALYST FOR CONDENSATION REACTION OF A PHENOL AND A KETONE TO PRODUCE A BISPHENOL | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0676237-A1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 1995-10-11 | — | — | EP | disclosed |
| US-4618599-A | WATER SOLUBILITY | RHONE-POULENC SANTE (FR) | 1986-10-21 | — | — | US | disclosed |
| US-4617377-A | BACTERICIDES | RHONE-POULENC SANTE (FR) | 1986-10-14 | — | — | US | disclosed |