⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6873377 | 0.68 | HIF1A (0.30) | — | |
| SCHEMBL19259355 | 0.67 | — | — | |
| SCHEMBL6045732 | 0.66 | — | — | |
| SCHEMBL3087560 | 0.65 | — | — | |
| SCHEMBL16882469 | 0.63 | — | — | |
| SCHEMBL1042126 | 0.62 | FFAR3 (0.34) | — | |
| SCHEMBL2773299 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL25296610 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL7146897 | 0.60 | TRPA1 (0.31) | — | |
| SCHEMBL6908636 | 0.60 | — | — |
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-6559118-B1 | 2-methyl-1-(1,2,4-trimethyl-3-cyclohexen-1-yl)-1-propanol | QUEST INTERNATIONAL B.V. (NL) | 2003-05-06 | — | — | US | disclosed |
| EP-1189860-A1 | FRAGRANCE COMPOUNDS | QUEST INTERNATIONAL B.V. (NL) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000551-A1 | NOVEL FRAGRANCE COMPOUNDS | QUEST INTERNATIONAL B.V. (NL) | 2001-01-04 | — | — | WO | disclosed |