⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072089 | 0.83 | NOTUM (0.32) | — | |
| SCHEMBL837379 | 0.81 | LIPE (0.34) | — | |
| SCHEMBL10072088 | 0.81 | PDE2A (0.36) | — | |
| SCHEMBL12565130 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL12170291 | 0.77 | — | — | |
| SCHEMBL12920534 | 0.77 | PTGDR2 (0.36) | — | |
| SCHEMBL13464757 | 0.74 | CA12 (0.34) | — | |
| SCHEMBL13268220 | 0.74 | CFTR (0.45) | — | |
| SCHEMBL13080948 | 0.74 | LPL (0.33) | — | |
| SCHEMBL12961833 | 0.73 | PTGDR2 (0.55) | — |
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-8143068-B2 | Oxidation resistant indicator molecules | SENSORS FOR MEDICINE AND SCIENCE, INC. (US) | 2012-03-27 | — | — | US | disclosed |
| US-20110081727-A1 | Oxidation Resistant Indicator Molecules | SENSORS FOR MEDICINE AND SCIENCE, INC. (US) | 2011-04-07 | — | — | US | disclosed |