⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6758342 | 0.72 | — | — | |
| SCHEMBL11802034 | 0.62 | — | — | |
| SCHEMBL682450 | 0.61 | — | — | |
| SCHEMBL28988666 | 0.55 | — | — | |
| Bromide SCHEMBL11778838 | 0.55 | — | — | |
| SCHEMBL37630 | 0.50 | — | — | |
| SCHEMBL25228032 | 0.41 | — | — | |
| SCHEMBL7160419 | 0.41 | — | — | |
| SCHEMBL42377 | 0.41 | — | — | |
| SCHEMBL7648158 | 0.41 | — | — |
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-2001064698-A2 | MACROCYCLIC LIGANDS AND COMPLEXES THEREOF | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 2001-09-07 | — | — | WO | disclosed |