⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL946503 | 0.92 | — | — | |
| Pyrimidine SCHEMBL28296215 | 0.89 | — | — | |
| Pyrimidine SCHEMBL4222799 | 0.89 | — | — | |
| Pyrazole SCHEMBL30854861 | 0.87 | — | — | |
| Pyrazole SCHEMBL7671561 | 0.87 | — | — | |
| Pyrazole SCHEMBL30626480 | 0.87 | — | — | |
| Pyrazole SCHEMBL5664483 | 0.87 | — | — | |
| Pyrazole SCHEMBL1384 | 0.87 | — | — | |
| Pyrazine SCHEMBL4018721 | 0.85 | TSHR (0.32) | — | |
| Pyrazole SCHEMBL27834957 | 0.85 | — | — |
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-108504647-A | A kind of drug binding pocket of DNA gyrase and its application | 中山大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-107344938-A | Pyrazoles-triazine derivative, its preparation method, pharmaceutical composition and purposes | 如东赛默罗生物科技有限公司 | 2017-11-14 | — | — | CN | disclosed |
| WO-2016160168-A1 | ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS | CYTEC INDUSTRIES INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| US-20160244860-A1 | ALIPHATIC-AROMATIC HETEROCYCLIC COMPOUNDS AND USES THEREOF IN METAL EXTRACTANT COMPOSITIONS | CYTEC IND INC (US) | 2016-08-25 | — | — | US | disclosed |
| CN-102573483-A | Triazine derivatives and their therapeutical applications | ABRAXIS BIOSCIENCE LLC | 2012-07-11 | — | — | CN | disclosed |
| CN-101052636-A | Compound containing condensed ring and organic electroluminescent element using same | IDEMITSU KOSAN CO (JP) | 2007-10-10 | — | — | CN | disclosed |
| US-5024923-A | Sulfur-containing metal complex | FUJI PHOTO FILM CO., LTD. (JP) | 1991-06-18 | — | — | US | disclosed |