⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3328759 | 0.72 | — | — | |
| SCHEMBL12189854 | 0.69 | — | — | |
| SCHEMBL4669760 | 0.69 | — | — | |
| SCHEMBL27615292 | 0.67 | — | — | |
| SCHEMBL13894089 | 0.67 | — | — | |
| SCHEMBL251548 | 0.67 | — | — | |
| SCHEMBL22354624 | 0.63 | — | — | |
| SCHEMBL11884471 | 0.62 | — | — | |
| SCHEMBL5354735 | 0.62 | — | — | |
| SCHEMBL415752 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9695191-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2017-07-04 | — | — | US | disclosed |
| EP-2462147-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2014-11-12 | — | — | EP | disclosed |
| US-20120202821-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-08-09 | — | — | US | disclosed |