⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497428 | 1.00 | — | — | |
| SCHEMBL8013962 | 1.00 | — | — | |
| SCHEMBL7755334 | 1.00 | TSHR (0.63) | — | |
| SCHEMBL1659013 | 0.97 | TSHR (0.60) | — | |
| SCHEMBL27545675 | 0.97 | — | — | |
| SCHEMBL30629411 | 0.92 | TSHR (0.55) | — | |
| SCHEMBL26038 | 0.88 | TSHR (0.57) | — | |
| SCHEMBL28762 | 0.87 | — | — | |
| SCHEMBL23561576 | 0.86 | TSHR (0.55) | — | |
| SCHEMBL11059751 | 0.83 | ALDH1A1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1757933-B1 | METHOD FOR THE DETERMINATION OF BODY ODOR | KAO CORP (JP) | 2013-01-09 | — | — | EP | disclosed |
| EP-1846436-B1 | INHIBITION OF SWEAT MALODOUR | FIRMENICH & CIE (CH) | 2012-09-12 | — | — | EP | disclosed |
| EP-1511499-B1 | IMMUNOMODULATORY COMPOUNDS AND METHODS OF USE THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |
| WO-2000024358-A2 | SYNTHESIS AND USES OF THIOPENTONE ENANTIOMERS | THE UNIVERSITY OF SYDNEY (AU) | 2000-05-04 | — | — | WO | disclosed |