⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11061351 | 0.88 | CHRM1 (0.52) | — | |
| SCHEMBL7712355 | 0.88 | CA2 (0.39) | — | |
| SCHEMBL1920048 | 0.84 | CA2 (0.60) | — | |
| SCHEMBL9248535 | 0.82 | CA2 (0.52) | — | |
| SCHEMBL7509588 | 0.82 | CA2 (0.41) | — | |
| SCHEMBL9542808 | 0.82 | — | — | |
| SCHEMBL7524695 | 0.81 | — | — | |
| SCHEMBL5698799 | 0.80 | CA2 (0.50) | — | |
| SCHEMBL7750270 | 0.80 | CA2 (0.50) | — | |
| SCHEMBL28659870 | 0.80 | CA2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017046058-A1 | PERFUME COMPOSITION HAVING ODOR MODULATOR COMPOUNDS FOR INCREASING ODOR INTENSITY | HENKEL AG & CO. KGAA (DE) | 2017-03-23 | — | — | WO | disclosed |
| US-6495152-B2 | BIOPOLYMER INCLUDING SULFUR IN THE FORM OF A THIOESTER IN THE POLYMER BACKBONE OR A THIOETHER IN THE POLYMER SIDE CHAINS, PRODUCED BY FERMENTATION OF BACTERIA; USE AS ANTIBACTERIAL COATING, ELECTROLYTE | TEPHA, INC. | 2002-12-17 | — | — | US | disclosed |
| US-20020106764-A1 | Sulfur containing polyhydroxyalkanoate compositions and method of production | TEPHA, INC. | 2002-08-08 | — | — | US | disclosed |
| WO-2002016627-A2 | SULFUR CONTAINING POLYHYDROXYALKANOATE COMPOSITIONS AND METHOD OF PRODUCTION | TEPHA, INC. (US) | 2002-02-28 | — | — | WO | disclosed |