⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6160966 | 0.73 | HSD11B1 (0.30) | — | |
| SCHEMBL435445 | 0.66 | — | — | |
| SCHEMBL2304474 | 0.66 | — | — | |
| SCHEMBL4802913 | 0.66 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7330059 | 0.64 | NPSR1 (0.34) | — | |
| Hydrogen Peroxide SCHEMBL28117278 | 0.64 | NPSR1 (0.34) | — | |
| SCHEMBL1356603 | 0.63 | — | — | |
| SCHEMBL27443560 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL13785592 | 0.62 | — | — | |
| SCHEMBL24858998 | 0.60 | SCN1A (0.33) | — |
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-20110190291-A1 | Prodrug and Fluoregenic Compositions and Methods for Using the Same | REGENTS OF THE UNIVERSITY OF CALIFORNIA, A CALIFORNIA CORPORATION (US) | 2011-08-04 | — | — | US | disclosed |