⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL902569 | 1.00 | — | — | |
| SCHEMBL12838599 | 0.83 | — | — | |
| SCHEMBL6701489 | 0.83 | — | — | |
| SCHEMBL2844312 | 0.83 | — | — | |
| SCHEMBL5470511 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL5460635 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL5480495 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL5466268 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL5474472 | 0.81 | GPR84 (0.52) | — | |
| SCHEMBL5466935 | 0.81 | GPR84 (0.52) | — |
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-8883720-B2 | Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity | POLYPHOR AG (CH) | 2014-11-11 | — | — | US | disclosed |
| US-20110312879-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2011-12-22 | — | — | US | disclosed |
| WO-2010060479-A1 | TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-06-03 | — | — | WO | disclosed |