⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10707380 | 1.00 | — | — | |
| SCHEMBL10712381 | 0.80 | CYP17A1 (0.31) | — | |
| SCHEMBL32682905 | 0.80 | CYP17A1 (0.31) | — | |
| SCHEMBL10712386 | 0.80 | CYP17A1 (0.31) | — | |
| SCHEMBL7548280 | 0.80 | CYP17A1 (0.31) | — | |
| SCHEMBL10710756 | 0.77 | TNF (0.31) | — | |
| SCHEMBL10835031 | 0.77 | TNF (0.31) | — | |
| SCHEMBL10835034 | 0.77 | TNF (0.31) | — | |
| SCHEMBL1225550 | 0.77 | — | — | |
| SCHEMBL10708360 | 0.75 | TRPA1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0155591-B1 | HYDROXYLATED DERIVATIVES OF CAMPHOLENIC ALDEHYDE, THEIR USE AS FLAVOURING AGENTS AND FLAVOURING COMPOSITIONS CONTAINING THEM | FIRMENICH SA (CH) | 1988-05-25 | — | — | EP | disclosed |
| US-4610813-A | Hydroxylic campholenic aldehyde derivatives, their utilization as perfume ingredients and perfuming compositions containing same | FIRMENICH SA (CH) | 1986-09-09 | — | — | US | disclosed |
| EP-0155591-A2 | Hydroxylated derivatives of campholenic aldehyde, their use as flavouring agents and flavouring compositions containing them | FIRMENICH SA (CH) | 1985-09-25 | — | — | EP | disclosed |