⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16093127 | 0.93 | FKBP1A (0.30) | — | |
| SCHEMBL16522843 | 0.85 | — | — | |
| SCHEMBL16522851 | 0.82 | — | — | |
| SCHEMBL10063376 | 0.82 | — | — | |
| SCHEMBL10063370 | 0.77 | — | — | |
| SCHEMBL10063377 | 0.75 | — | — | |
| SCHEMBL15004023 | 0.72 | KDM4C (0.37) | — | |
| SCHEMBL12518496 | 0.71 | KDM4C (0.40) | — | |
| SCHEMBL25612307 | 0.69 | HDAC6 (0.39) | — | |
| SCHEMBL25612300 | 0.68 | HDAC6 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120014904-A1 | VASCULAR DELIVERY SYSTEMS | BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DEVELOPMENT AUTHORITY (IL) | 2012-01-19 | — | — | US | disclosed |