⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15768748 | 0.83 | ALOX5 (0.32) | — | |
| SCHEMBL17106328 | 0.83 | ALOX5 (0.32) | — | |
| SCHEMBL7144818 | 0.74 | — | — | |
| SCHEMBL7151692 | 0.73 | — | — | |
| SCHEMBL12593588 | 0.70 | — | — | |
| SCHEMBL17106418 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL17106421 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL17106193 | 0.69 | — | — | |
| SCHEMBL17106417 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL14420958 | 0.66 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |