⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48430 | 0.97 | — | — | |
| SCHEMBL29429230 | 0.97 | — | — | |
| SCHEMBL31058588 | 0.94 | — | — | |
| SCHEMBL28085181 | 0.94 | — | — | |
| Acetone SCHEMBL27924148 | 0.82 | MAPT (0.43) | — | |
| M-Xylene SCHEMBL28888664 | 0.78 | ACHE (0.52) | — | |
| SCHEMBL945389 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL1951804 | 0.73 | — | — | |
| SCHEMBL1968056 | 0.73 | — | — | |
| Lithium SCHEMBL29859897 | 0.73 | ALDH1A1 (0.48) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118126530-B | Low-dielectric-constant polyphenylene sulfide material for millimeter waves and preparation method thereof | 江西聚真科技发展有限公司 | 2024-12-17 | — | — | CN | claimed |
| CN-118126530-A | Low-dielectric-constant polyphenylene sulfide material for millimeter waves and preparation method thereof | 江西聚真科技发展有限公司 | 2024-06-04 | — | — | CN | claimed |
| CN-105837528-B | Preparation method of 2- (methylsulfonyl) -10H-phenothiazine | 大连理工大学 | 2018-04-27 | — | — | CN | disclosed |
| CN-104835933-B | A kind of Graft copolymer PEM and preparation method thereof | 大连理工大学 | 2017-03-08 | — | — | CN | disclosed |
| CN-105837528-A | Preparation method of 2- (methylsulfonyl) -10H-phenothiazine | 大连理工大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-104835933-A | Grafted polymer proton exchange membrane and preparation method thereof | UNIV DALIAN TECH | 2015-08-12 | — | — | CN | disclosed |
| CN-1393131-A | Antifungal triazole compounds | MILITARY MEDICAL UNIV NO 2 P L (CN) | 2003-01-29 | — | — | CN | disclosed |