⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8061791 | 0.84 | NR1D1 (0.31) | — | |
| SCHEMBL9001946 | 0.84 | NR1D1 (0.31) | — | |
| SCHEMBL8253868 | 0.81 | — | — | |
| SCHEMBL17449472 | 0.80 | — | — | |
| SCHEMBL5957310 | 0.79 | CYP2D6 (0.33) | — | |
| SCHEMBL12298229 | 0.76 | — | — | |
| SCHEMBL19458 | 0.75 | TDP1 (0.42) | — | |
| SCHEMBL6823075 | 0.73 | HDAC6 (0.35) | — | |
| SCHEMBL8412132 | 0.72 | ALOX15 (0.42) | — | |
| SCHEMBL3031948 | 0.71 | ALOX15 (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 2 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-20060039861-A1 | Peptide-based multimeric targeted contrast agents | EPIX MEDICAL, INC., A DELAWARE CORPORATION | 2006-02-23 | — | — | US | disclosed |