⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28344975 | 1.00 | ALDH1A1 (0.53) | — | |
| Acetic Acid SCHEMBL5918793 | 0.88 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL10773161 | 0.88 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL1054733 | 0.88 | — | — | |
| Acetic Acid SCHEMBL292254 | 0.88 | FFAR3 (0.54) | — | |
| Acetamide SCHEMBL28275765 | 0.88 | — | — | |
| Acetic Acid SCHEMBL2259927 | 0.88 | FFAR3 (0.54) | — | |
| Acetic Acid SCHEMBL5182815 | 0.85 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL3626183 | 0.85 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL4937602 | 0.85 | FFAR3 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105199384-B | Fire-retardant benzoxazine nano composite material of transparent type and preparation method thereof | 四川天策聚材科技有限公司 | 2017-10-27 | — | — | CN | claimed |
| CN-105199384-A | Transparent flame-retardant benzoxazine nanocomposite and preparation method thereof | UNIV SOUTHWEST PETROLEUM | 2015-12-30 | — | — | CN | claimed |
| CN-110268024-A | Acrylate-based monomers as reactive diluents in printing formulations | 巴斯夫欧洲公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-105199384-B | Fire-retardant benzoxazine nano composite material of transparent type and preparation method thereof | 四川天策聚材科技有限公司 | 2017-10-27 | — | — | CN | disclosed |
| CN-105199384-A | Transparent flame-retardant benzoxazine nanocomposite and preparation method thereof | UNIV SOUTHWEST PETROLEUM | 2015-12-30 | — | — | CN | disclosed |