⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13814752 | 0.75 | — | — | |
| SCHEMBL18175149 | 0.75 | — | — | |
| SCHEMBL7871513 | 0.70 | — | — | |
| SCHEMBL3826024 | 0.66 | — | — | |
| SCHEMBL10470617 | 0.64 | — | — | |
| SCHEMBL322841 | 0.63 | — | — | |
| SCHEMBL24503825 | 0.63 | — | — | |
| SCHEMBL18722155 | 0.62 | EPHX1 (0.31) | — | |
| SCHEMBL15384230 | 0.61 | — | — | |
| SCHEMBL10045692 | 0.61 | — | — |
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-20130303521-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES | HYDRA BIOSCIENCES, INC (US) | 2013-11-14 | — | — | US | disclosed |