⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4481753 | 0.80 | — | — | |
| SCHEMBL5657014 | 0.73 | SMPD3 (0.32) | — | |
| SCHEMBL7265294 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL2059421 | 0.64 | — | — | |
| SCHEMBL3391797 | 0.63 | — | — | |
| SCHEMBL4492693 | 0.62 | — | — | |
| SCHEMBL19693001 | 0.61 | PARP1 (0.43) | — | |
| SCHEMBL19692758 | 0.60 | PARP1 (0.42) | — | |
| SCHEMBL3395860 | 0.60 | — | — | |
| SCHEMBL313327 | 0.60 | — | — |
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-0517765-A1 | PREPARATIONS FOR MR DIAGNOSIS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1992-12-16 | — | — | EP | claimed |
| WO-1991012822-A1 | PREPARATIONS FOR MR DIAGNOSIS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1991-09-05 | — | — | WO | claimed |