⚠ 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 SCHEMBL28630959 | 0.97 | — | — | |
| SCHEMBL375332 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL383988 | 0.79 | — | — | |
| SCHEMBL653873 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL16136742 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL12814141 | 0.73 | — | — | |
| SCHEMBL181418 | 0.72 | — | — | |
| SCHEMBL11810443 | 0.72 | ENPEP (0.38) | — | |
| SCHEMBL9111058 | 0.72 | ENPEP (0.38) | — | |
| SCHEMBL9634853 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109503421-B | Method for improving safety of azide amine fuel synthesis process | 黎明化工研究设计院有限责任公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-113321624-A | Synthesis method of 1,4, 7-triazacyclononane | 仪征市海帆化工有限公司 | 2021-08-31 | — | — | CN | disclosed |
| EP-0403751-B1 | Polycarbonic acid imidazolines, process for their preparation and their use in detergents | SCHAEFER CHEM INST (CH) | 1994-03-23 | — | — | EP | disclosed |
| US-5151522-A | Condensation of imidazoline compounds with acrylic acid, methacrylic acid or maleic acid | CHEMISCHES INSTITUT SCHAEFER AG (CH) | 1992-09-29 | — | — | US | disclosed |
| US-5049315-A | Polycarboxylic acid imidazolines, process for the preparation thereof and cleaning agents containing them | CHEMISCHES INSTUTUT SCHAEFER AG (DE) | 1991-09-17 | — | — | US | disclosed |
| EP-0403751-A1 | Polycarbonic acid imidazolines, process for their preparation and their use in detergents | CHEMISCHES INSTITUT SCHAEFER AG (CH) | 1990-12-27 | — | — | EP | disclosed |