⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL173083 | 1.00 | — | — | |
| SCHEMBL5076974 | 0.86 | GSTK1 (0.47) | — | |
| SCHEMBL18346531 | 0.86 | GSTK1 (0.47) | — | |
| SCHEMBL27612561 | 0.84 | GSTK1 (0.50) | — | |
| SCHEMBL5712957 | 0.82 | GSTK1 (0.52) | — | |
| SCHEMBL17062972 | 0.82 | GSTK1 (0.52) | — | |
| SCHEMBL17062999 | 0.82 | GSTK1 (0.52) | — | |
| SCHEMBL25323230 | 0.80 | — | — | |
| SCHEMBL465238 | 0.80 | — | — | |
| SCHEMBL10405913 | 0.80 | — | — |
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-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-1140203-B1 | VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2007-05-23 | — | — | EP | disclosed |