⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8930675 | 0.66 | — | — | |
| SCHEMBL12741037 | 0.48 | TSHR (0.38) | — | |
| SCHEMBL9998917 | 0.42 | — | — | |
| Tert-Butanol SCHEMBL27517178 | 0.39 | — | — | |
| SCHEMBL23149820 | 0.37 | — | — | |
| SCHEMBL19921920 | 0.37 | — | — | |
| SCHEMBL652559 | 0.37 | — | — | |
| SCHEMBL911361 | 0.37 | — | — | |
| SCHEMBL7948270 | 0.37 | — | — | |
| Tert-Butanol SCHEMBL10588934 | 0.37 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0418863-B1 | NMDA antagonists | MERRELL DOW PHARMA (US) | 1995-01-04 | — | — | EP | claimed |
| US-5599522-A | CONTRAST ENHANCING AGENTS | NYCOMED IMAGING AS (NO) | 1997-02-04 | — | — | US | disclosed |
| EP-0515458-B1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | NYCOMED INNOVATION AB (SE) | 1995-08-23 | — | — | EP | disclosed |
| EP-0515458-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. | HAFSLUND NYCOMED INNOVATION (SE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012024-A1 | TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI | HAFSLUND NYCOMED INNOVATION AB (SE) | 1991-08-22 | — | — | WO | disclosed |