⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8930521 | 0.87 | GFER (0.36) | — | |
| SCHEMBL8930541 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL6320212 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL8930545 | 0.72 | ADRB1 (0.49) | — | |
| SCHEMBL5717885 | 0.72 | SIGMAR1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL5849112 | 0.70 | SIGMAR1 (0.44) | — | |
| SCHEMBL15284265 | 0.68 | SIGMAR1 (0.36) | — | |
| SCHEMBL4581596 | 0.68 | SLC6A9 (0.39) | — | |
| SCHEMBL7538929 | 0.68 | AOC3 (0.37) | — | |
| SCHEMBL8930599 | 0.68 | TP53 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997014443-A1 | MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES | BRACCO INTERNATIONAL B.V. (NL) | 1997-04-24 | — | — | WO | disclosed |