⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51026 | 0.69 | — | — | |
| SCHEMBL9107803 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL9272703 | 0.65 | — | — | |
| SCHEMBL12384148 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL10878266 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL3935165 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL6547079 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL25487350 | 0.63 | — | — | |
| SCHEMBL27649374 | 0.63 | HMGCR (0.42) | — | |
| SCHEMBL7067117 | 0.62 | — | — |
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-5417959-A | Functionalized aza-crytand ligands for diagnostic imaging applications | MALLINCKRODT MEDICAL, INC. (US) | 1995-05-23 | — | — | US | disclosed |
| WO-1995010217-A2 | FUNCTIONALIZED AZA-CRYPTAND LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-04-20 | — | — | WO | disclosed |