⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7921114 | 0.77 | — | — | |
| SCHEMBL7906123 | 0.77 | — | — | |
| SCHEMBL10758716 | 0.76 | GAA (0.31) | — | |
| SCHEMBL9647589 | 0.74 | L3MBTL1 (0.33) | — | |
| SCHEMBL2466558 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL472649 | 0.73 | — | — | |
| SCHEMBL15251406 | 0.73 | — | — | |
| SCHEMBL13077993 | 0.73 | — | — | |
| SCHEMBL23058736 | 0.70 | GANAB (0.36) | — | |
| SCHEMBL294003 | 0.70 | GANAB (0.36) | — |
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-5171819-A | Alkyl substituted piperazines as chain extenders in polyurea elastomer systems | TEXACO CHEMICAL COMPANY (US) | 1992-12-15 | — | — | US | disclosed |
| EP-0459692-A2 | Alkyl substituted piperazines and use as chain extenders in polyurea elastomer systems | TEXACO CHEMICAL COMPANY (US) | 1991-12-04 | — | — | EP | disclosed |