⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6152526 | 0.89 | — | — | |
| SCHEMBL6063404 | 0.79 | CYP2C19 (0.31) | — | |
| SCHEMBL23539431 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL7038806 | 0.74 | CYP2C19 (0.34) | — | |
| SCHEMBL7274953 | 0.73 | CYP4F2 (0.34) | — | |
| SCHEMBL11765654 | 0.71 | CYP2C19 (0.36) | — | |
| SCHEMBL27263967 | 0.68 | — | — | |
| SCHEMBL6802128 | 0.68 | GNAI3 (0.32) | — | |
| SCHEMBL10695833 | 0.67 | — | — | |
| SCHEMBL1543252 | 0.66 | ARG1 (0.35) | — |
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-20120022113-A1 | METHODS FOR SUPPRESSING TIPDC TRAFFICKING OR ACCUMULATION AND PREVENTING HYPERCYTOKINEMIA | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-01-26 | — | — | US | disclosed |
| WO-2010085385-A1 | METHODS FOR SUPPRESSING TIP DC TRAFFICKING OR ACCUMULATION AND PREVENTING HYPERCYTOKINEMIA | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2010-07-29 | — | — | WO | disclosed |