⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3310424 | 0.97 | — | — | |
| SCHEMBL3310580 | 0.89 | LMNA (0.31) | — | |
| SCHEMBL3310413 | 0.86 | LMNA (0.30) | — | |
| SCHEMBL712295 | 0.80 | — | — | |
| SCHEMBL709410 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL13327918 | 0.76 | LMNA (0.47) | — | |
| SCHEMBL10044849 | 0.74 | LMNA (0.42) | — | |
| SCHEMBL10044844 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL13327900 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL14043477 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100111875-A1 | TRISUBSTITUTED TRIAZAMACROCYCLIC COMPOUNDS AND THEIR USE AS CONTRAST AGENTS | GE HEALTHCARE AS (NO) | 2010-05-06 | — | — | US | disclosed |