⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15823553 | 0.83 | — | — | |
| SCHEMBL17399128 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL6011972 | 0.78 | LMNA (0.46) | — | |
| SCHEMBL276733 | 0.78 | — | — | |
| SCHEMBL11040223 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL3014424 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL276225 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL12945383 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL16702767 | 0.75 | — | — | |
| SCHEMBL18077303 | 0.74 | TSHR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553411-A1 | INDICATOR FOR ASSESSING BODY ODOR, PROCESS FOR PRODUCING THE SAME, BODY ODOR ASSESSMENT METHOD, METHOD OF ASSESSING EFFICACIOUSNESS OF DEODORANT AND KIT FOR CONVENIENTLY ASSESING BODY ODOR | Kao Corporation (JP) | 2005-07-13 | — | — | EP | disclosed |