⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4271558 | 0.77 | EPHX1 (0.39) | — | |
| SCHEMBL21776065 | 0.74 | — | — | |
| SCHEMBL965801 | 0.74 | — | — | |
| SCHEMBL10447536 | 0.74 | — | — | |
| SCHEMBL969171 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL23827 | 0.67 | — | — | |
| SCHEMBL25162137 | 0.67 | NPC1 (0.33) | — | |
| SCHEMBL10456955 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL133932 | 0.65 | NPC1 (0.44) | — | |
| SCHEMBL6859267 | 0.65 | KDM4E (0.46) | — |
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-9795610-B2 | Theramutein modulators | Housey, Gerard M. (US) | 2017-10-24 | — | — | US | disclosed |
| US-8431110-B2 | Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators | HMI MEDICAL INNOVATIONS, LLC. (US) | 2013-04-30 | — | — | US | disclosed |