⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14439275 | 0.94 | NR1D1 (0.31) | — | |
| SCHEMBL8061701 | 0.94 | NR1D1 (0.31) | — | |
| SCHEMBL14328848 | 0.90 | — | — | |
| SCHEMBL14439212 | 0.88 | — | — | |
| SCHEMBL7762658 | 0.85 | CHRM2 (0.32) | — | |
| SCHEMBL10092572 | 0.84 | — | — | |
| SCHEMBL23711054 | 0.83 | CA12 (0.36) | — | |
| SCHEMBL8058659 | 0.82 | CTSS (0.30) | — | |
| SCHEMBL7203307 | 0.82 | CHRM2 (0.33) | — | |
| SCHEMBL8047752 | 0.81 | KDM4E (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927581-B2 | For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo | Factor 1A, LLC (US) | 2011-04-19 | — | — | US | disclosed |
| US-7238341-B2 | Peptide-based multimeric targeted contrast agents | EPIX PHARMACEUTICALS, INC. (US) | 2007-07-03 | — | — | US | disclosed |
| US-20060039861-A1 | Peptide-based multimeric targeted contrast agents | EPIX MEDICAL, INC., A DELAWARE CORPORATION | 2006-02-23 | — | — | US | disclosed |
| US-20050074411-A1 | Peptide-based multimeric targeted contrast agents | EPIX MEDICAL, INC. A DELAWARE CORPORATION | 2005-04-07 | — | — | US | disclosed |