⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175913 | 0.75 | SIGMAR1 (0.32) | — | |
| SCHEMBL4396772 | 0.74 | — | — | |
| SCHEMBL9318444 | 0.74 | — | — | |
| SCHEMBL9113091 | 0.74 | — | — | |
| SCHEMBL9113094 | 0.74 | — | — | |
| SCHEMBL21951078 | 0.74 | ADRB1 (0.36) | — | |
| SCHEMBL1907577 | 0.73 | — | — | |
| SCHEMBL8014869 | 0.73 | RECQL (0.38) | — | |
| SCHEMBL9112962 | 0.71 | — | — | |
| SCHEMBL9112955 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5055581-A | Dehydrochlorination reaction between n-alkyl substituted piperazine and bis(-chloroalkyl) ether; useful for urethane forming reaction | SAN-APRO LIMITED (JP) | 1991-10-08 | — | — | US | disclosed |
| US-5055581-A | Dehydrochlorination reaction between n-alkyl substituted piperazine and bis(-chloroalkyl) ether; useful for urethane forming reaction | SAN-APRO LIMITED (JP) | 1991-10-08 | — | — | US | disclosed |