⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8930714 | 0.79 | — | — | |
| SCHEMBL8930693 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL8930694 | 0.62 | — | — | |
| SCHEMBL12731429 | 0.50 | TSHR (0.38) | — | |
| SCHEMBL12368457 | 0.50 | TSHR (0.38) | — | |
| SCHEMBL15746268 | 0.47 | TSHR (0.41) | — | |
| Isopropyl Alcohol SCHEMBL30507719 | 0.44 | — | — | |
| SCHEMBL9730908 | 0.43 | — | — | |
| SCHEMBL51387 | 0.43 | — | — | |
| SCHEMBL243254 | 0.43 | — | — |
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-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 |