⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16874405 | 0.94 | CASP1 (0.31) | — | |
| SCHEMBL10644282 | 0.71 | — | — | |
| SCHEMBL15598293 | 0.67 | — | — | |
| SCHEMBL17713513 | 0.63 | — | — | |
| SCHEMBL19772682 | 0.61 | ADORA2A (0.32) | — | |
| SCHEMBL8465809 | 0.53 | CASP1 (0.50) | — | |
| SCHEMBL25853 | 0.53 | — | — | |
| SCHEMBL9579151 | 0.53 | CASP1 (0.50) | — | |
| SCHEMBL8356506 | 0.53 | CASP1 (0.50) | — | |
| SCHEMBL373770 | 0.51 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254636-B | Triazol ring ionic nitro azole compounds of 3,6,7 triamido 1,2,4 and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2017-10-24 | — | — | CN | disclosed |
| CN-105254636-A | 3,6,7-triamino-1,2,4-triazolocycle ionic type nitroazole compound and preparation method thereof | INST CHEMICAL MATERIAL CHINA ACADEMY ENGINEERING PHYSICS | 2016-01-20 | — | — | CN | disclosed |
| US-9113536-B2 | Electroluminescent device | BASF SE (DE) | 2015-08-18 | — | — | US | disclosed |
| EP-0148149-B1 | HIGH CONCENTRATION ENCAPSULATION BY INTERFACIAL POLYCONDENSATION | Monsanto Company (US) | 1988-08-24 | — | — | EP | disclosed |
| EP-0148169-B1 | HIGH CONCENTRATION ENCAPSULATION OF WATER SOLUBLE-MATERIALS | Monsanto Company (US) | 1987-10-28 | — | — | EP | disclosed |
| US-4563212-A | MICROCAPSULES CONTAINING AGRICULTURAL CHEMICALS | MONSANTO COMPANY (US) | 1986-01-07 | — | — | US | disclosed |
| US-4534783-A | CAPSULES OF POLYUREA, POLYAMIDE, POLYESTER OR POLYURETHANE; HERBICIDES, INSECTICIDES | MONSANTO CO. (US) | 1985-08-13 | — | — | US | disclosed |
| EP-0148169-A2 | High concentration encapsulation of water soluble-materials | Monsanto Company (US) | 1985-07-10 | — | — | EP | disclosed |
| EP-0148149-A2 | High concentration encapsulation by interfacial polycondensation | Monsanto Company (US) | 1985-07-10 | — | — | EP | disclosed |