⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576244 | 0.72 | — | — | |
| SCHEMBL576099 | 0.69 | — | — | |
| SCHEMBL24149420 | 0.69 | — | — | |
| SCHEMBL28236300 | 0.69 | — | — | |
| SCHEMBL28740173 | 0.67 | — | — | |
| SCHEMBL6591628 | 0.67 | — | — | |
| SCHEMBL28049228 | 0.67 | — | — | |
| Fluoride SCHEMBL31436429 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL11506916 | 0.65 | — | — | |
| SCHEMBL31142000 | 0.65 | — | — |
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-108321434-A | A kind of high-voltage lithium-ion battery electrolyte | 安普瑞斯（无锡）有限公司 | 2018-07-24 | — | — | CN | claimed |
| CN-115986212-A | Electrolyte and lithium ion battery | 惠州亿纬锂能股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| US-4133937-A | Fibers coated with triozine polymers | TEXACO INC. (US) | 1979-01-09 | — | — | US | disclosed |
| US-4125513-A | Thermoplastic compositions containing triazine polymer coated reinforcing agents | TEXACO INC. (US) | 1978-11-14 | — | — | US | disclosed |
| US-4100147-A | Polymerization of aliphatic nitriles | TEXACO INC. (US) | 1978-07-11 | — | — | US | disclosed |