⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1296360 | 0.79 | — | — | |
| SCHEMBL12824995 | 0.77 | — | — | |
| SCHEMBL9876389 | 0.77 | — | — | |
| SCHEMBL21067025 | 0.76 | PTPN1 (0.33) | — | |
| SCHEMBL18774510 | 0.76 | CA1 (0.34) | — | |
| SCHEMBL11468584 | 0.75 | — | — | |
| SCHEMBL10411898 | 0.75 | — | — | |
| SCHEMBL28994090 | 0.75 | PTPN1 (0.36) | — | |
| SCHEMBL28964443 | 0.75 | — | — | |
| SCHEMBL25203489 | 0.73 | PTPN1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040186042-A1 | Iso-$g(b)-bisabolol as fragrance and aroma substance | SYMRISE GMBH & CO. KG (DE) | 2004-09-23 | — | — | US | disclosed |
| EP-1412313-A1 | ISO-$G(B)-BISABOLOL AS FRAGRANCE AND AROMA SUBSTANCE | Symrise GmbH & Co. KG (DE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003011802-A1 | ISO-$G(B)-BISABOLOL AS FRAGRANCE AND AROMA SUBSTANCE | SYMRISE GMBH & CO. KG (DE) | 2003-02-13 | — | — | WO | disclosed |