⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8208369 | 1.00 | — | — | |
| Methane SCHEMBL28368101 | 0.97 | — | — | |
| SCHEMBL21631 | 0.89 | — | — | |
| SCHEMBL8399905 | 0.89 | TSHR (0.33) | — | |
| Fluoride SCHEMBL28770594 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL5327532 | 0.85 | — | — | |
| Charcoal, Activated SCHEMBL31121667 | 0.85 | — | — | |
| Hydrazine SCHEMBL28643751 | 0.81 | — | — | |
| Cyclohexane SCHEMBL2856722 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL5620015 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110225945-B | Composition and coating film | 大金工业株式会社 | 2020-07-14 | — | — | CN | disclosed |
| CN-111100602-A | Polyurethane phase change compositions and methods of making the same | 罗杰斯公司 | 2020-05-05 | — | — | CN | disclosed |
| CN-110951351-A | Fluorine-containing coating film and method for producing same | 大金工业株式会社 | 2020-04-03 | — | — | CN | disclosed |
| CN-109627422-A | A kind of preparation method of diacetylmonoxime blocked polyisocyanates | 万华化学集团股份有限公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-105636366-B | Multi-layer flexible circuit board | 旭化成株式会社 | 2019-02-19 | — | — | CN | disclosed |
| EP-0741155-B1 | Anionically stabilized aqueous polyvinyl butyral dispersions, process for their production and use thereof | SOLUTIA GERMANY GMBH & CO KG (DE) | 2003-06-11 | — | — | EP | disclosed |
| US-5708074-A | REACTING AN ALIPHATIC ACID WITH A POLYFUNCTIONAL ISOCYANATE,REACTING RESIDUAL ISOCYANATES WITH A MONOALCOHOL OR AMONOAMINE TO PRODUCE AN EMULSIFIER AND REACTING EMULSIFIER WITH POLYVINYL BUTYRAL AND A PLASTICIZER | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0741155-A2 | Anionically stabilized aqueous polyvinyl butyral dispersions, process for their production and use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-06 | — | — | EP | disclosed |