⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL952090 | 0.85 | TSHR (0.38) | — | |
| SCHEMBL4154811 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL27869028 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL3148591 | 0.78 | — | — | |
| SCHEMBL2362153 | 0.77 | — | — | |
| SCHEMBL11475673 | 0.76 | — | — | |
| SCHEMBL27125913 | 0.76 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9807471 | 0.74 | — | — | |
| SCHEMBL953463 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL950259 | 0.74 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090221582-A1 | Piperazine Derivatives And Their Use In Therapy | VERNALIS (R&D) (GB) | 2009-09-03 | — | — | US | disclosed |
| EP-1960391-A1 | PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY | Vernalis (R&D) Limited (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007057687-A1 | PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY | VERNALIS (R & D) LIMITED (GB) | 2007-05-24 | — | — | WO | disclosed |