⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9178133 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL18389578 | 0.75 | — | — | |
| SCHEMBL7046452 | 0.73 | — | — | |
| SCHEMBL31678165 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL19924561 | 0.71 | — | — | |
| SCHEMBL24496625 | 0.69 | — | — | |
| SCHEMBL19222688 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL8049997 | 0.69 | — | — | |
| SCHEMBL8049921 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL8049923 | 0.69 | ALDH1A1 (0.36) | — |
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-20170246155-A1 | COMPOSITIONS AND METHODS FOR SELECTIVELY DEPLETING SENESCENT CELLS | BIOVENTURES, LLC | 2017-08-31 | — | — | US | disclosed |
| WO-2009129944-A1 | POLYURETHANE ELASTOMERS, THE METHOD FOR PREPARING THE SAME AND THE USE THEREOF | BAYER MATERIALSCIENCE AG (DE) | 2009-10-29 | — | — | WO | disclosed |