⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297052 | 0.81 | — | — | |
| SCHEMBL28461271 | 0.74 | — | — | |
| SCHEMBL333601 | 0.69 | — | — | |
| SCHEMBL6807739 | 0.68 | — | — | |
| SCHEMBL134917 | 0.67 | — | — | |
| SCHEMBL7934332 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL28980091 | 0.67 | — | — | |
| SCHEMBL28682841 | 0.67 | — | — | |
| SCHEMBL2428244 | 0.65 | — | — | |
| SCHEMBL5029470 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104812838-B | Flame-retardant polybutylene terephthalate resin composition and molded article thereof | 胜技高分子株式会社 | 2018-03-06 | — | — | CN | disclosed |
| US-20120178720-A1 | Bisphosphonates as Inhibitors of Acid Sphingomyelinase | RHEINISCH-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) | 2012-07-12 | — | — | US | disclosed |