⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112567 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL12788412 | 0.71 | — | — | |
| SCHEMBL4625077 | 0.71 | — | — | |
| SCHEMBL13472106 | 0.71 | — | — | |
| Fluoride SCHEMBL22032650 | 0.70 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4316309 | 0.70 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4662388 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL1669502 | 0.69 | — | — | |
| SCHEMBL22247230 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL26537553 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656355-B1 | PIPERAZINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2008-03-12 | — | — | EP | disclosed |
| EP-1878728-A2 | Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders | Amgen Inc. (US) | 2008-01-16 | — | — | EP | disclosed |